SCHEMBL8323116

SCHEMBL8323116

N#Cc1ccc(N(Cc2ccc([N+](=O)[O-])c(F)c2)c2cncnc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.39
SNCA P37840 1/20 0.37
STS P08842 2/20 0.37
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
VCAM1 P19320 1/20 0.34
CXCR3 P49682 2/20 0.34
KDM1A O60341 1/20 0.33
CTSL P07711 1/20 0.33
VNN1 O95497 1/20 0.33
KAT2B Q92831 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL8327043 0.84 CYP19A1 (0.45) CYP19A1STSKDM1ACTSLVNN1
SCHEMBL28922397 0.82 CYP19A1 (0.46) CYP19A1STSKDM1A
SCHEMBL8324619 0.82 KCNJ1 (0.46) CYP19A1MAPTPOLB
SCHEMBL8323517 0.82 KCNJ1 (0.46) CYP19A1MAPTPOLB
SCHEMBL8329384 0.81 CYP19A1 (0.43) CYP19A1STSCTSL
SCHEMBL8327987 0.79 CYP19A1 (0.42) CYP19A1STSCTSLVNN1
SCHEMBL8328066 0.79 CYP19A1 (0.44) CYP19A1STSPOLB
SCHEMBL8323103 0.78 ESR1 (0.49) CYP19A1KDM1ACTSLVNN1
SCHEMBL6063814 0.77 CYP19A1 (0.38) CYP19A1CTSLVNN1
SCHEMBL27287580 0.76 CYP11B1 (0.44) CYP19A1STSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640595-B1 SUBSTITUTED TERTIARY AMINO COMPOUND OR SALT THEREOF YAMANOUCHI PHARMA CO LTD (JP) 1999-03-24 EP disclosed
CN-1039228-C Novel substituted tert-amino compund YAMANOUCHI PHARMA CO LTD (JP) 1998-07-22 CN disclosed
US-5538976-A ANTICARCINOGENIC AGENTS AND ENZYME INHIBITORS FOR AROMATASE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-07-23 US disclosed
EP-0640595-A1 NOVEL SUBSTITUTED TERTIARY AMINO COMPOUND OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-03-01 EP disclosed
CN-1079962-A New substituted tertiary amine compound and salt thereof YAMANOUCHI PHARMA CO LTD (JP) 1993-12-29 CN disclosed