SCHEMBL15219792

SCHEMBL15219792

C/C=C/c1ccc2c(c1)c1cc(/C=C/C)ccc1n2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.44
CYP3A4 P08684 2/20 0.40
ATM Q13315 1/20 0.40
TYR P14679 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
GPR3 P46089 1/20 0.38
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HSD17B10 Q99714 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL17722994 0.80 IP6K1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14366792 0.80 GPR3 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL18056651 0.79 CNR2 (0.40) CNR2CYP3A4ATMTYRKDM4E
SCHEMBL12419783 0.77 GPR3 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24820869 0.77 CNR2 (0.36) CNR2CYP3A4ATMTYRGPR3
SCHEMBL2713434 0.77 CYP2A6 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31711447 0.77 CYP2A6 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16250289 0.77 ALDH1A1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23665528 0.76 CNR2 (0.38) CNR2CYP3A4ATMTYRGPR3
SCHEMBL28217032 0.76 GPR3 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A

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
US-8889825-B2 Conjugated polymer containing isoindigo units, preparation method and use thereof Ocean's King Lighting Science & Technology, Co., Ltd. (CN) 2014-11-18 US disclosed
US-20130220415-A1 CONJUGATED POLYMER CONTAINING ISOINDIGO UNITS, PREPARATION METHOD AND USE THEREOF OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-08-29 US disclosed