SCHEMBL20068635

SCHEMBL20068635

c1ccc2c(c1)[nH]c1cc3cc4c(cc3cc12)c1cccc2c3ccccc3n4c21

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.49
TOP2A P11388 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
GPR3 P46089 1/20 0.41
KIF11 P52732 13/20 0.40
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
ATM Q13315 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL20068639 1.00 AHR (0.49) AHRTOP2AALDH1A1HSD17B10GPR3
SCHEMBL24161464 0.91 AHR (0.52) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL24161558 0.88 AHR (0.37) AHRTOP2AALDH1A1HSD17B10KIF11
SCHEMBL23728209 0.87 AHR (0.50) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL23728401 0.87 AHR (0.55) AHRTOP2AALDH1A1HSD17B10GPR3
SCHEMBL16850413 0.86 AHR (0.53) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL22600947 0.86 AHR (0.62) AHRTOP2AALDH1A1HSD17B10GPR3
SCHEMBL20857811 0.86 KDM4E (0.44) ALDH1A1HSD17B10GPR3KDM4EMAPT
SCHEMBL26287764 0.85 AHR (0.44) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL18042240 0.84 AHR (0.43) AHRALDH1A1HSD17B10GPR3KIF11

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
WO-2018070824-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2018-04-19 WO disclosed