SCHEMBL3419641

SCHEMBL3419641

O=c1c2cc3c(=O)n(Cc4cccnc4)c(=O)c3cc2c(=O)n1Cc1cccnc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.58
MAPK10 P53779 1/20 0.58
SRC P12931 1/20 0.56
KMT2A Q03164 2/20 0.55
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
GABRA5 P31644 7/20 0.54
GABRA1 P14867 5/20 0.54
ALOX5 P09917 1/20 0.52
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CHRNB2 P17787 1/20 0.49

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
SCHEMBL22203802 0.77 SRC (0.62) SRCKMT2AMEN1ALDH1A1
SCHEMBL6980977 0.77 PKM (0.79) PKMMAPK10KMT2AOPRM1OPRD1
SCHEMBL10084713 0.75 PKM (0.60) PKMMAPK10KMT2AOPRM1OPRD1
SCHEMBL6517583 0.75 PARG (0.58) PKMMAPK10GABRA5GABRA1ALDH1A1
SCHEMBL18708212 0.74 PKM (1.00) PKMMAPK10KMT2AOPRM1OPRD1
SCHEMBL1944502 0.73 ALDH1A1 (0.70) PKMMAPK10SRCKMT2AOPRM1
SCHEMBL25827237 0.73 GABRA5 (0.48) PKMMAPK10SRCKMT2AOPRM1
SCHEMBL13259493 0.73 SRC (0.57) SRCKMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL1308674 0.72 TDP1 (0.56) PKMMAPK10
SCHEMBL1523150 0.72 PTGDR2 (0.53) PKMMAPK10SRCKMT2AOPRM1

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-20100050793-A1 FLEXIBLE CHEMICAL SENSORS KOREA UNIVERSITY HOLDINGS CO., LTD. (KR) 2010-03-04 US disclosed