SCHEMBL6375308

SCHEMBL6375308

c1ccc(Cc2csc(-c3ccncc3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
AR P10275 1/20 0.57
KMT2A Q03164 1/20 0.57
DRD2 P14416 2/20 0.53
DRD4 P21917 2/20 0.53
DRD3 P35462 2/20 0.53
ROCK2 O75116 1/20 0.47
GRK2 P25098 1/20 0.47
FYN P06241 1/20 0.47
S1PR1 P21453 1/20 0.46
C1S P09871 1/20 0.46
HPGD P15428 3/20 0.46
RAB9A P51151 3/20 0.45
CYP19A1 P11511 2/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.44

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 SCHEMBL10611955 0.98 KDM4E (0.56) KDM4EARKMT2ADRD2DRD4
SCHEMBL28177852 0.91 DRD2 (0.61) KDM4EARKMT2ADRD2DRD4
SCHEMBL6377339 0.86 CYP19A1 (0.61) KDM4EDRD2DRD4DRD3RAB9A
SCHEMBL27923764 0.83 GFER (0.61) KDM4EARKMT2ARAB9ACYP19A1
SCHEMBL6378638 0.79 PDE10A (0.55) KDM4EKMT2ADRD2DRD4DRD3
SCHEMBL5385321 0.77 GFER (0.71) KDM4EARKMT2ADRD2DRD4
SCHEMBL15356507 0.77 KDM4E (0.50) KDM4EARKMT2ADRD2DRD4
SCHEMBL15349110 0.77 KDM4E (0.49) KDM4EARKMT2AHPGDRAB9A
SCHEMBL6760692 0.77 RAB9A (0.56) KDM4EARKMT2AHPGDRAB9A
SCHEMBL2116082 0.76 C1S (0.49) KDM4EDRD2DRD4DRD3C1S

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100334085-C Quinuclidine compound and medicine containing the same as active ingredient EISAI R & D CO LTD (JP) 2007-08-29 CN disclosed
EP-1217001-B1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT EISAI CO LTD (JP) 2005-12-07 EP disclosed
US-6599917-B1 A squalene-synthesizing enzyme inhibitor, a cholesterol biosynthesis inhibitor and a triglyceride biosynthesis inhibitor EISAI CO., LTD. (JP) 2003-07-29 US disclosed
CN-1377349-A Quinuclidine compound and medicine containing the same as active ingredient EISAI CO LTD (JP) 2002-10-30 CN disclosed
EP-1217001-A1 QUINUCLIDINE COMPOUNDS AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed
US-4746669-A Substituted thiazoles as immunoregulants MERCK & CO., INC. (US) 1988-05-24 US disclosed