SCHEMBL7920085

SCHEMBL7920085

COc1ccc(C(=O)Nc2cc(C3CC3)n[nH]2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.50
RAB9A P51151 9/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 6/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TP53 P04637 4/20 0.48
MITF O75030 1/20 0.48
GAA P10253 1/20 0.48
KLF5 Q13887 1/20 0.47
MEN1 O00255 2/20 0.47
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
CDK2 P24941 2/20 0.45

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
SCHEMBL5867557 0.86 KCNK3 (0.50) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL5868042 0.83 CCNA2 (0.63) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL5867793 0.80 CCNA2 (0.52) RAB9AKMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL5867450 0.80 CDK2 (0.71) NPC1RAB9AKMT2ATP53MITF
SCHEMBL5867513 0.79 GLS (0.48) NPC1RAB9AKMT2AHSD17B10MEN1
SCHEMBL5867879 0.78 MEN1 (0.54) NPC1RAB9AKMT2ASMN1; SMN2KDM4E
SCHEMBL5867902 0.76 MAPT (0.49) KMT2AKDM4ELMNAHSD17B10TP53
SCHEMBL5867393 0.76 CDK2 (0.60) KMT2ASMN1; SMN2KDM4EHTTGAA
SCHEMBL5867887 0.75 CDK2 (0.51) NPC1RAB9ASMN1; SMN2KDM4EHTT
SCHEMBL5867690 0.75 CRACR2A (0.52) NPC1RAB9AKMT2ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218418-B1 THERAPY OF CELL PROLIFERATIVE DISORDERS ASSOCIATED WITH AN ALTERED CELL DEPENDENT KINASE ACTIVITY BY ADMINISTERING AMINO PYRAZOLE DERIVATIVE TO MAMMAL PHARMACIA & UPJOHN S.P.A (IT) 2001-04-17 US disclosed