SCHEMBL12433699

SCHEMBL12433699

Cc1ccc2c(c1)Oc1cc(C)ccc1N2c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.43
AR P10275 1/20 0.42
CYP2A6 P11509 3/20 0.41
CYP2E1 P05181 2/20 0.41
CYP3A4 P08684 2/20 0.41
HTT P42858 2/20 0.41
CDK8 P49336 1/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 3/20 0.38
GAA P10253 2/20 0.38
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL20308081 0.84 ALDH1A1 (0.38) HTTCDK8MAPTALDH1A1KMT2A
SCHEMBL15424076 0.81 ELANE (0.45) ELANEMAPTNPSR1CYP1A2RAB9A
SCHEMBL18783238 0.81 ALDH1A1 (0.43) ELANEARHTTCDK8MAPT
SCHEMBL12433662 0.81 CDK8 (0.40) ARCDK8MAPTALDH1A1NPSR1
SCHEMBL12374349 0.80 ALDH1A1 (0.42) ELANEHTTALDH1A1TSHRNPSR1
SCHEMBL15316124 0.79 HSP90AA1 (0.49) CYP3A4MAPTALDH1A1KMT2AHSD17B10
SCHEMBL17123066 0.79 HTT (0.50) ELANEARCYP2A6CYP2E1CYP3A4
SCHEMBL21008788 0.79 CYP1A2 (0.39) CYP2A6CYP2E1CYP3A4CDK8TDP1
SCHEMBL12374353 0.77 ELANE (0.43) ELANEMAPTALDH1A1TSHRHSD17B10
SCHEMBL13203012 0.76 P2RX4 (0.43) CDK8MAPTALDH1A1NPSR1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7982212-B2 Copolymer and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-19 US disclosed
US-7982212-B2 Copolymer and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-19 US disclosed
US-20100176376-A1 COPOLYMER AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY , LIMITED (JP) 2010-07-15 US disclosed
US-20100176376-A1 COPOLYMER AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY , LIMITED (JP) 2010-07-15 US disclosed