SCHEMBL4892903

SCHEMBL4892903

COc1cccc(/C=N/CC/N=C/c2cccc(OC)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.70
TAAR1 Q96RJ0 1/20 0.57
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
RECQL P46063 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
G6PC1 P35575 1/20 0.55
RELA Q04206 1/20 0.53
NFE2L2 Q16236 2/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PTGS2 P35354 1/20 0.49
CYP19A1 P11511 1/20 0.49
NQO2 P16083 1/20 0.49
KDM4E B2RXH2 1/20 0.48
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 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
SCHEMBL4892909 1.00 CHRM5 (0.70) CHRM5TAAR1CYP1A2CYP3A4RECQL
SCHEMBL5382728 0.90 CHRM5 (0.62) CHRM5TAAR1CYP1A2CYP3A4RECQL
SCHEMBL5382725 0.90 CHRM5 (0.62) CHRM5TAAR1CYP1A2CYP3A4RECQL
SCHEMBL16312050 0.87 CHRM5 (0.58) CHRM5TAAR1CYP1A2CYP3A4RECQL
SCHEMBL14129051 0.83 CHRM5 (0.54) CHRM5TAAR1CYP1A2CYP3A4RECQL
SCHEMBL24343471 0.83 CHRM5 (0.62) CHRM5TAAR1CYP1A2CYP3A4RECQL
SCHEMBL1654602 0.82 CHRM5 (1.00) CHRM5TAAR1CYP1A2CYP3A4RECQL
SCHEMBL10689028 0.82 SMN1; SMN2 (0.65) CHRM5TAAR1CYP1A2CYP3A4RECQL
SCHEMBL7579153 0.82 CHRM5 (0.60) CHRM5TAAR1CYP1A2CYP3A4RECQL
SCHEMBL10921731 0.82 CHRM5 (0.60) CHRM5TAAR1CYP1A2CYP3A4RECQL

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-8853352-B2 Functionalized polymer and method for making BRIDGESTONE CORPORATION (JP) 2014-10-07 US disclosed
US-20080154020-A1 introducing imine compounds into carbanionic (living) polymers, that can interact with particle filler such as carbon black and silica BRIDGESTONE CORPORATION (JP) 2008-06-26 US disclosed