SCHEMBL6972582

SCHEMBL6972582

[CH2]n1cnc2ccccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
HSD17B10 Q99714 1/20 0.54
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.49
USP5 P45974 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
STAT3 P40763 1/20 0.46
TSHR P16473 1/20 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
SCHEMBL3636921 0.78 RAB9A (0.57) KDM4EHPGDHSD17B10RAB9ANPC1
SCHEMBL29723028 0.76 ACVR1 (0.61) KDM4EHPGDHSD17B10RAB9ANPC1
SCHEMBL122167 0.76 ACVR1 (0.61) KDM4EHPGDHSD17B10RAB9ANPC1
SCHEMBL3190592 0.76 KDM4E (0.54) KDM4EHPGDHSD17B10RAB9ANPC1
SCHEMBL258690 0.76 KDM4E (0.54) KDM4EHPGDHSD17B10RAB9ANPC1
SCHEMBL30743619 0.76 KDM4E (0.54) KDM4EHPGDHSD17B10RAB9ANPC1
SCHEMBL28248362 0.76 RAB9A (0.56) KDM4EHPGDHSD17B10RAB9ANPC1
SCHEMBL16181504 0.76 KDM4E (0.54) KDM4EHPGDHSD17B10RAB9ANPC1
SCHEMBL22021641 0.76 KDM4E (0.54) KDM4EHPGDHSD17B10RAB9ANPC1
SCHEMBL25101164 0.76 KDM4E (0.50) KDM4EHPGDHSD17B10RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP claimed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed