SCHEMBL4888628

SCHEMBL4888628

COc1ccc(/C=C/c2ncncn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.61
KDM4E B2RXH2 3/20 0.61
CYP3A4 P08684 2/20 0.61
NPC1 O15118 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
HPGD P15428 1/20 0.61
CYP2C19 P33261 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MAPT P10636 1/20 0.58
RELA Q04206 2/20 0.55
TRPA1 O75762 1/20 0.55
CYP1A1 P04798 3/20 0.53
CYP1B1 Q16678 3/20 0.53
TUBB1 Q9H4B7 3/20 0.53
ESR1 P03372 2/20 0.53
PTGS2 P35354 2/20 0.53
TUBB4A P04350 2/20 0.53
TUBB P07437 2/20 0.53

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
SCHEMBL4888630 1.00 CYP1A2 (0.61) CYP1A2KDM4ECYP3A4NPC1CYP2D6
SCHEMBL16597820 0.83 KDM4E (0.63) CYP1A2KDM4ECYP3A4NPC1CYP2D6
SCHEMBL16597578 0.83 KDM4E (0.63) CYP1A2KDM4ECYP3A4NPC1CYP2D6
SCHEMBL28187760 0.81 CYP1A1 (0.63) CYP1A2KDM4ENPC1RAB9AMAPT
SCHEMBL24897242 0.80 CYP1A2 (0.64) CYP1A2KDM4ECYP3A4NPC1CYP2D6
SCHEMBL815589 0.80 AHR (0.56) CYP1A2KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL815588 0.80 AHR (0.56) CYP1A2KDM4ECYP3A4CYP2D6CYP2C9
SCHEMBL13790336 0.79 RELA (0.81) CYP1A2KDM4ECYP3A4NPC1CYP2D6
SCHEMBL631998 0.79 RELA (0.81) CYP1A2KDM4ECYP3A4NPC1CYP2D6
SCHEMBL699458 0.79 RELA (0.81) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080166657-A1 Resist composition for bulkhead formation, bulkhead of EL display device and EL display device SUGIMOTO YASUAKI 2008-07-10 US disclosed
US-20050236967-A1 Resist composition for separator formation, separator of EL display device and EL display device TOKYO OHKA KOGYO CO., LTD. (JP) 2005-10-27 US disclosed
US-4701399-A Photosensitive composition with 2-halomethyl-5-substituted-1,3,4-oxadiazole FUJI PHOTO FILM CO., LTD. (JP) 1987-10-20 US disclosed