SCHEMBL8732134

SCHEMBL8732134

CCc1cc(N)c(C)cc1Cc1cc(C)c(N)cc1CC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
CYP1A2 P05177 1/20 0.64
ALOX15 P16050 1/20 0.64
CASP7 P55210 1/20 0.64
HIF1A Q16665 1/20 0.64
HSD17B10 Q99714 1/20 0.64
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
ATAD2 Q6PL18 1/20 0.36
TERT O14746 1/20 0.35
S100B P04271 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 3/20 0.34

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
SCHEMBL21613684 0.83 ALDH1A1 (0.46) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL25557893 0.83 ALDH1A1 (0.48) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL25559806 0.83 ALDH1A1 (0.48) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL14036541 0.81 ALDH1A1 (0.56) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL28656722 0.81 ALDH1A1 (0.70) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL12345636 0.81 ALDH1A1 (0.56) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL31123471 0.81 ALDH1A1 (0.70) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL8729779 0.81 ALDH1A1 (0.44) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL941288 0.78 ALDH1A1 (1.00) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL31403341 0.78 ALDH1A1 (1.00) ALDH1A1CYP1A2ALOX15CASP7HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5725948-A POLYIMIDE FROM A BISMALEIMIDE AND A DIAMINE TOMOEGAWA PAPER CO., LTD. (JP) 1998-03-10 US disclosed