SCHEMBL3890065

SCHEMBL3890065

N#Cn1c2ccccc2c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 5/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
IMPDH2 P12268 1/20 0.42
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
CYP19A1 P11511 1/20 0.38
POLB P06746 1/20 0.38
BACE1 P56817 2/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL32665750 1.00 GPR3 (0.46) GPR3CYP1A2CYP2C19KDM4EATM
SCHEMBL29940205 1.00 GPR3 (0.46) GPR3CYP1A2CYP2C19KDM4EATM
SCHEMBL3898419 0.84 ALDH1A1 (0.35) GPR3CYP1A2CYP2C19KDM4EATM
SCHEMBL28342656 0.82 CA1 (0.42) KDM4EIMPDH2ALDH1A1TSHRGAA
SCHEMBL30118271 0.81 KDM4E (0.47) GPR3CYP1A2CYP2C19KDM4EATM
SCHEMBL30118254 0.78 NPY5R (0.37) CYP1A2CYP2C19KDM4EMEN1KMT2A
SCHEMBL8667753 0.74 CA1 (0.54) KDM4EL3MBTL1MEN1KMT2AALDH1A1
SCHEMBL1537773 0.74 GPR3 (0.46) GPR3CYP1A2CYP2C19KDM4EATM
SCHEMBL3301059 0.74 GPR3 (0.46) GPR3CYP1A2CYP2C19KDM4EATM
SCHEMBL11483570 0.74 GPR3 (0.46) GPR3CYP1A2CYP2C19KDM4EATM

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118271580-B Anion exchange membrane prepared from aryl piperidine copolymer containing triazine ring branched structure, preparation method and application 大连理工大学 2024-08-16 CN claimed
CN-118271580-A Anion exchange membrane prepared from aryl piperidine copolymer containing triazine ring branched structure, preparation method and application 大连理工大学 2024-07-02 CN claimed
EP-1539168-A2 TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO(3,4-D)PYRIDAZINE COMPOUNDS Merck & Co., Inc. (US) 2005-06-15 EP claimed
WO-2004006836-A2 TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO[3,4-D]PYRIDAZINE COMPOUNDS MERCK & CO., INC. (US) 2004-01-22 WO claimed
CN-116514820-B Indole [3,2,1-jk ] carbazole derivative, preparation method and application thereof, and organic room-temperature phosphorescence doped polymer material 青岛科技大学 2026-01-09 CN disclosed
CN-118271580-B Anion exchange membrane prepared from aryl piperidine copolymer containing triazine ring branched structure, preparation method and application 大连理工大学 2024-08-16 CN disclosed
CN-118271580-A Anion exchange membrane prepared from aryl piperidine copolymer containing triazine ring branched structure, preparation method and application 大连理工大学 2024-07-02 CN disclosed
CN-115340523-B Compound with ALK inhibitory activity and preparation method and application thereof 盛世泰科生物医药技术(苏州)股份有限公司 2023-12-15 CN disclosed
WO-2022237813-A1 COMPOUND HAVING ALK INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 盛世泰科生物医药技术(苏州)有限公司 2022-11-17 WO disclosed
CN-115340523-A Compound with ALK inhibitory activity and preparation method and application thereof 盛世泰科生物医药技术(苏州)有限公司 2022-11-15 CN disclosed
CN-102459172-B Tetracyclic compound CHUGAI PHARMACEUTICAL CO LTD 2015-06-24 CN disclosed
CN-102459172-A Tetracyclic compounds CHUGAI PHARMACEUTICAL CO LTD 2012-05-16 CN disclosed
WO-2010114497-A1 BENZOTRIAZOLE CONTAINING DONOR-ACCEPTOR TYPE POLYMER AS A MULTI-PURPOSE MATERIAL TOPPARE LEVENT KAMIL (TR) 2010-10-07 WO disclosed
WO-2009027838-A2 KINAMYCIN F FOR CANCER TREATMENT UNIVERSITY OF MANITOBA (US) 2009-03-05 WO disclosed