SCHEMBL172216

SCHEMBL172216

c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 1.00
RAB9A P51151 12/20 1.00
ALDH1A1 P00352 11/20 1.00
KDM4E B2RXH2 10/20 1.00
SMN1; SMN2 Q16637 10/20 1.00
HSD17B10 Q99714 7/20 1.00
PKM P14618 4/20 1.00
TP53 P04637 4/20 1.00
NPSR1 Q6W5P4 3/20 1.00
ABCB11 O95342 1/20 1.00
GAA P10253 2/20 0.75
BTK Q06187 1/20 0.68
PKN1 Q16512 1/20 0.67
PKN2 Q16513 1/20 0.67
HPGD P15428 8/20 0.64
MAPT P10636 3/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
ALOX15 P16050 1/20 0.64
TSHR P16473 1/20 0.64
POLB P06746 1/20 0.64

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30561047 1.00 NPC1 (1.00) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL30634854 1.00 NPC1 (1.00) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
Water SCHEMBL9817804 0.97 NPC1 (0.95) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL2178266 0.88 NPC1 (0.88) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL29386825 0.88 NPC1 (0.88) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL227743 0.88 NPC1 (0.78) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL24295036 0.86 NPC1 (0.84) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL105095 0.86 NPC1 (1.00) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL20677815 0.86 NPC1 (0.75) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL12153689 0.86 NPC1 (0.77) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 871 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024110575-A1 OLIGOMERISATION OF ALCOHOLS Terra Mater BV (BE) 2024-05-30 WO claimed
US-11976153-B2 Fluorinated polymerization catalysts and methods of making and using the same UNIVERSITY OF HOUSTON SYSTEM (US) 2024-05-07 US claimed
CN-116041725-B Preparation method and application of half sandwich structure organic metal supermolecular material 安徽工业大学 2024-04-02 CN claimed
US-20230374171-A1 FLUORINATED POLYMERIZATION CATALYSTS AND METHODS OF MAKING AND USING THE SAME UNIVERSITY OF HOUSTON SYSTEM 2023-11-23 US claimed
CN-116836404-A Bibenzimidazole bridged double-column [5] arene supermolecular polymer and preparation and application thereof 西北师范大学 2023-10-03 CN claimed
WO-2023177976-A2 NUCLEIC ACID CROSSLINKING REAGENTS AND USES THEREOF PROMEGA CORPORATION (US) 2023-09-21 WO claimed
CN-116589507-A Tetranuclear organic-metal macrocyclic compound, and preparation method and application thereof 洛阳师范学院 2023-08-15 CN claimed
EP-4208564-A1 NUCLEIC ACID MODIFYING REAGENTS AND USES THEREOF Promega Corporation (US) 2023-07-12 EP claimed
CN-116041725-A Preparation method and application of half sandwich structure organic metal supermolecular material 安徽工业大学 2023-05-02 CN claimed
CN-113173919-B Preparation and application of amphiphilic bis-benzimidazole derivative and supramolecular sensor thereof 西北师范大学 2022-07-12 CN claimed
WO-1991007455-A1 SULFOALKYLATION OF HYDROXYETHYLATED POLYBENZIMIDAZOLE POLYMERS HOECHST CELANESE CORPORATION (US) 1991-05-30 WO claimed
US-4997892-A Sulfalkylation of hydroxyethylated polybenzimidazole polymers HOECHST CELANESE CORP. (US) 1991-03-05 US claimed
EP-0145337-B1 ELECTROCHROMIC DEVICES CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1990-08-08 EP claimed
EP-0354040-A2 Membranes prepared from blends of polybenzimidazole with polyarylates HOECHST CELANESE CORPORATION (US) 1990-02-07 EP claimed
EP-0196153-B1 PROCESS FOR THE EXTRACTION OF METAL VALUES AND NOVEL METAL EXTRACTANTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-07-26 EP claimed
US-4842740-A LESS SUSCEPTIBLE TO MOISTURE AND MORE THERMALLY PROCESSABLE HOECHST CELANESE CORPORATION (US) 1989-06-27 US claimed
US-4814399-A Sulfoalkylation of polybenzimidazole HOECHST CELANESE CORPORATION (US) 1989-03-21 US claimed
US-4696801-A Process for the extraction of metal values with bisimidazole metal extractants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-09-29 US claimed
EP-0196153-A2 Process for the extraction of metal values and novel metal extractants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-10-01 EP claimed
EP-0145337-A2 Electrochromic devices CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1985-06-19 EP claimed