SCHEMBL3625409

SCHEMBL3625409

COc1ccc(C=Cc2nc(CCl)nc(CCl)n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
KDM4E B2RXH2 3/20 0.50
CYP3A4 P08684 2/20 0.50
NPC1 O15118 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RELA Q04206 3/20 0.49
TRPA1 O75762 1/20 0.49
EGFR P00533 1/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
AHR P35869 2/20 0.47
MAPT P10636 2/20 0.47
CYP1A1 P04798 3/20 0.47
CYP1B1 Q16678 3/20 0.47
ESR1 P03372 2/20 0.47

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
SCHEMBL3625405 1.00 CYP1A2 (0.50) CYP1A2KDM4ECYP3A4NPC1CYP2D6
SCHEMBL3463092 0.83 CYP1A2 (0.46) CYP1A2KDM4ECYP3A4NPC1CYP2D6
SCHEMBL24897242 0.82 CYP1A2 (0.64) CYP1A2KDM4ECYP3A4NPC1CYP2D6
SCHEMBL17133607 0.78 AHR (0.56) CYP1A2KDM4ECYP3A4NPC1CYP2D6
SCHEMBL16117347 0.76 RELA (0.60) CYP1A2KDM4ECYP3A4NPC1CYP2D6
SCHEMBL5788351 0.75 AHR (0.53) CYP1A2KDM4ECYP3A4NPC1CYP2D6
SCHEMBL5788349 0.75 AHR (0.53) CYP1A2KDM4ECYP3A4NPC1CYP2D6
SCHEMBL21940412 0.74 CYP1A2 (0.50) CYP1A2KDM4ECYP3A4NPC1CYP2D6
SCHEMBL51498 0.74 CYP1A2 (0.50) CYP1A2KDM4ECYP3A4NPC1CYP2D6
SCHEMBL51497 0.74 CYP1A2 (0.50) CYP1A2KDM4ECYP3A4NPC1CYP2D6

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-7758969-B2 Photosensitive composition, optical element using the same, and method for manufacturing the same DAI NIPPON PRINTING CO., LTD. (JP) 2010-07-20 US disclosed
US-20070087135-A1 Photosensitive composition, optical element using the same, and method for manufacturing the same DAI NIPPON PRINTING CO., LTD. (JP) 2007-04-19 US disclosed