SCHEMBL2957

SCHEMBL2957

[c]1nncc2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.32
ALOX12 P18054 1/20 0.32
KDM4E B2RXH2 2/20 0.31
TP53 P04637 2/20 0.31
CYP3A4 P08684 2/20 0.31
GOT1 P17174 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MPO P05164 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
PKM P14618 1/20 0.31
MAOA P21397 1/20 0.31
PTGS1 P23219 1/20 0.31
THPO P40225 1/20 0.31
RAB9A P51151 1/20 0.31
AOX1 Q06278 1/20 0.31
ACOX1 Q15067 1/20 0.31

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
Hydrochloric Acid SCHEMBL28618702 0.98 KDM4E (0.33) CYP2A6ALOX12KDM4ETP53CYP3A4
SCHEMBL4747752 0.80 ALDH1A1 (0.34) CYP2A6CYP3A4ALDH1A1CYP1A2MAPT
SCHEMBL3897125 0.73 CLK1 (0.32)
SCHEMBL56536 0.70 MAPT (0.32) MAPT
SCHEMBL3906666 0.68 KDM4E (0.39) KDM4ETP53CYP3A4SMN1; SMN2NPC1
SCHEMBL3929334 0.67 MAPT (0.38) KDM4ETP53CYP3A4SMN1; SMN2NPC1
Phthalazine SCHEMBL22439995 0.67 CYP2A6 (0.50) CYP2A6ALOX12KDM4ETP53CYP3A4
Phthalazine SCHEMBL8266 0.67 CYP2A6 (0.50) CYP2A6ALOX12KDM4ETP53CYP3A4
Phthalazine SCHEMBL29356700 0.67 CYP2A6 (0.50) CYP2A6ALOX12KDM4ETP53CYP3A4
Phthalazine SCHEMBL5675695 0.64 CYP2A6 (0.47) CYP2A6ALOX12KDM4ETP53CYP3A4

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

Appears in 119623 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432995-B1 None US claimed
EP-4400497-A1 3CLPRO PROTEASE INHIBITOR Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-07-17 EP claimed
EP-3381983-B1 SQUARYLIUM COMPOUNDS AND INFRARED CUT FILMS, INFRARED CUT FILTERS AND ELECTRONIC DEVICES INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2024-07-17 EP claimed
CN-118324771-A Organic light-emitting device, electronic device, and heterocyclic compound 三星显示有限公司 2024-07-12 CN claimed
CN-110400884-B Organic light emitting device and method of manufacturing the same 三星显示有限公司 2024-07-12 CN claimed
WO-2024145585-A1 COMPOUNDS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-07-04 WO claimed
WO-2024140638-A1 COMPOUND BASED ON SULFUR/OXYGEN SUBSTITUTED GLUTARIMIDE-BASED ISOINDOLINONE SKELETON AND USE THEREOF 标新生物医药科技(上海)有限公司 2024-07-04 WO claimed
WO-2024140637-A1 OXOISOINDOLINYL SUBSTITUTED PIPERIDINEDIONE DERIVATIVE AND USE THEREOF 标新生物医药科技(上海)有限公司 2024-07-04 WO claimed
EP-3651762-B1 ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 UNIV VANDERBILT (US) 2024-07-03 EP claimed
CN-109994638-B Organic light emitting device and electronic device 三星显示有限公司 2024-07-02 CN claimed
US-4140681-A ANTICOAGULANTS MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1979-02-20 US claimed
US-4131673-A INHIBITION AND SUPPRESSION OF THROMBOSIS IN MAMMALS MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1978-12-26 US claimed
US-4125604-A PEPTIDES, ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1978-11-14 US claimed
US-4117127-A INHIBITION AND SUPPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1978-09-26 US claimed
US-4113867-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-09-12 US claimed
US-4101653-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1978-07-18 US claimed
US-4097472-A INHIBITION AND SUPRESSION OF THROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-06-27 US claimed
US-4093712-A ANTITHROMBOGENIC AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-06-06 US claimed
US-4042577-A POLYESTERS, POLYAMIDES, CELLULOSE ACETATES SANDOZ LTD. (CH) 1977-08-16 US claimed
US-4013638-A VULCANIZATION ACCELERATORS, OXIDATION INHIBITORS OF RUBBER MONSANTO COMPANY (US) 1977-03-22 US claimed