SCHEMBL42560

SCHEMBL42560

O=Cc1cc(Cl)ccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.67
ERN1 O75460 4/20 0.61
TP53 P04637 3/20 0.48
ALDH1A1 P00352 5/20 0.44
MAPT P10636 2/20 0.44
HSD17B10 Q99714 2/20 0.44
PTPN1 P18031 1/20 0.43
TSHR P16473 3/20 0.42
CYP3A4 P08684 1/20 0.42
PTP4A3 O75365 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MAPK1 P28482 1/20 0.40
XDH P47989 1/20 0.40
VCAM1 P19320 1/20 0.39

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
Salicyladehyde SCHEMBL11872934 0.83 ERN1 (0.65) TDP1ERN1ALDH1A1MAPTHSD17B10
SCHEMBL4357334 0.82 TDP1 (0.70) TDP1ERN1TP53ALDH1A1MAPT
SCHEMBL95435 0.80 TDP1 (1.00) TDP1ERN1TP53ALDH1A1MAPT
Water SCHEMBL28578537 0.80 TDP1 (0.67) TDP1ERN1ALDH1A1MAPTHSD17B10
SCHEMBL29889164 0.80 TDP1 (1.00) TDP1ERN1TP53ALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL8037724 0.78 TDP1 (0.95) TDP1ERN1TP53ALDH1A1MAPT
SCHEMBL692623 0.78 ERN1 (0.59) TDP1ERN1TP53ALDH1A1MAPT
SCHEMBL29818700 0.78 ALDH1A1 (0.67) TDP1ERN1ALDH1A1MAPTHSD17B10
SCHEMBL29958016 0.78 ERN1 (0.59) TDP1ERN1HSD17B10PTPN1XDH
SCHEMBL3787764 0.78 ALDH1A1 (0.67) TDP1ERN1ALDH1A1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12234384-B2 Adhesion-improving composition for textile material and associated reinforcing textile material PORCHER INDUSTRIES (FR) 2025-02-25 US claimed
CN-118496215-A Polyhydroxylated onium derivative with disubstituted benzene ring, preparation method and medical application thereof 中国药科大学 2024-08-16 CN claimed
CN-118459420-A Thiazolinone compound containing multiple halogen atoms and preparation method thereof 南京工业大学 2024-08-09 CN claimed
CN-118459422-A Thiazole thiazolinone compound containing multiple halogen atoms and preparation method thereof 南京工业大学 2024-08-09 CN claimed
EP-4399212-A1 SUBSTITUTED 2,3-DIHYDRO[1,3]THIAZOLO[4,5-B]PYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-07-17 EP claimed
CN-117624148-A Polyhydroxy sulfonium salt derivative with disubstituted benzene ring, preparation method and medical application thereof 中国药科大学 2024-03-01 CN claimed
CN-115850269-A Tetrahydro-beta-carboline compound and preparation method and application thereof 南京工业大学 2023-03-28 CN claimed
WO-2023036707-A1 SUBSTITUTED 2,3-DIHYDRO[1,3]THIAZOLO[4,5-B]PYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2023-03-16 WO claimed
CN-115093410-A Preparation method of beta-carboline compound 南京工业大学 2022-09-23 CN claimed
CN-111499654-B Method for synthesizing 3-chloro-thiophene [2, 3-b ] pyridine derivative 南通诺泰生物医药技术有限公司 2022-09-02 CN claimed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 EP claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP claimed
WO-1999010310-A1 PROCESS FOR PRODUCING DIPHENYLETHERS AND ESTERS THE DOW CHEMICAL COMPANY (US) 1999-03-04 WO claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
EP-0560268-B1 Substituted pipecolinic acid derivatives as HIV protease inhibitors BIO MEGA BOEHRINGER INGELHEIM (CA) 1995-01-04 EP claimed
WO-1993018003-A1 SUBSTITUED PIPECOLINIC ACID DERIVATIVES AS HIV PROTEASE INHIBITORS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-16 WO claimed
EP-0560268-A1 Substituted pipecolinic acid derivatives as HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1993-09-15 EP claimed
US-5049551-A Antitumor UBE INDUSTRIES, LTD. (JP) 1991-09-17 US claimed
EP-0400610-A1 5-Fluorouracil derivatives UBE INDUSTRIES, LTD. (JP) 1990-12-05 EP claimed