SCHEMBL3032

SCHEMBL3032

[c]1ncc2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
GLA P06280 1/20 0.44
ACHE P22303 1/20 0.44
EGFR P00533 1/20 0.41
CYP1A2 P05177 4/20 0.38
NCF1 P14598 3/20 0.38
NOS2 P35228 1/20 0.38
BACE1 P56817 1/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
NQO2 P16083 1/20 0.37
KDM4E B2RXH2 3/20 0.37
GPR3 P46089 1/20 0.37
HTR3A P46098 2/20 0.34
HRH4 Q9H3N8 1/20 0.34
GAA P10253 2/20 0.33
MGAM O43451 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3525983 0.80 ALDH1A1 (0.44) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL6710807 0.77 ALDH1A1 (0.52) ALDH1A1MAPTHPGDGLAACHE
SCHEMBL158440 0.73 KDM4E (0.32) ALDH1A1CYP1A2KDM4E
SCHEMBL156192 0.73 MAP4K4 (0.31)
SCHEMBL60071 0.73 MAPT (0.47) ALDH1A1MAPTHPGDKDM4EGPR3
SCHEMBL2640123 0.71
SCHEMBL4416476 0.70 NPC1 (0.44) ALDH1A1MAPTCYP1A2KDM4EHSD17B10
SCHEMBL16174440 0.70 BACE1 (0.46) ALDH1A1MAPTCYP1A2BACE1KDM4E
SCHEMBL2303882 0.70 CYP1A2 (0.45) ALDH1A1MAPTCYP1A2BACE1NQO2
SCHEMBL17511928 0.70 ALDH1A1 (0.42) ALDH1A1MAPTHPGDCYP1A2KDM4E

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 181309 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
US-12043634-B2 Metal complexes, methods of making the same, and uses thereof THE UNIVERSITY OF MANITOBA (CA) 2024-07-23 US claimed
US-20240239824-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-18 US claimed
WO-2023058644-A9 COMPOUND, ORGANIC EL ELEMENT, DISPLAY DEVICE AND LIGHTING DEVICE 東レ株式会社 2024-07-18 WO claimed
US-20240244858-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-18 US claimed
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 US claimed
US-20240244953-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-18 US 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
EP-4400501-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2024-07-17 EP claimed
EP-4399330-A1 GENE FUSIONS IN SARCOMA Foundation Medicine, Inc. (US) 2024-07-17 EP 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-4112090-A BACTERICIDE TOYAMA CHEMICAL CO., LTD. (JP) 1978-09-05 US claimed
US-4110327-A BACTERICIDES TOYAMA CHEMICAL CO., LTD. (JP) 1978-08-29 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-3981869-A BENZOTHIAZOLE, BENZOXAZOLE AND INDOLE DYES BAYER AKTIENGESELLSCHAFT (DT) 1976-09-21 US claimed