SCHEMBL29430282

SCHEMBL29430282

Cc1cc(Cc2cc(C)c(C)c(N)c2N)c(N)c(N)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
CYP1A2 P05177 1/20 0.50
ALOX15 P16050 1/20 0.50
CASP7 P55210 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 3/20 0.36
CYP3A4 P08684 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 4/20 0.32
HTT P42858 2/20 0.32
POLB P06746 2/20 0.32
MAPK1 P28482 2/20 0.31
GAA P10253 2/20 0.30
NOS3 P29474 2/20 0.30
NOS1 P29475 2/20 0.30
NOS2 P35228 2/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL31387920 0.83 ALDH1A1 (0.38) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL841075 0.75 ALDH1A1 (0.50) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL29001818 0.73 ALDH1A1 (0.43) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL27447803 0.73 ALDH1A1 (0.31) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL2131880 0.73 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TDP1TP53
SCHEMBL395142 0.72 ALDH1A1 (0.47) ALDH1A1HSD17B10TSHRCYP3A4TDP1
SCHEMBL2120713 0.70 CYP3A4 (0.48) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL1277356 0.70 ALDH1A1 (0.48) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL13324501 0.70 ALDH1A1 (0.44) ALDH1A1CYP1A2ALOX15CASP7HIF1A
SCHEMBL6680469 0.70 ALDH1A1 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022045044-A1 LOW VOC PAINT COMPOSITION, COATING FILM, AND BASE MATERIAL WITH COATING FILM, AND METHODS FOR PRODUCING THESE 中国塗料株式会社 2022-03-03 WO claimed
WO-2022045044-A1 LOW VOC PAINT COMPOSITION, COATING FILM, AND BASE MATERIAL WITH COATING FILM, AND METHODS FOR PRODUCING THESE 中国塗料株式会社 2022-03-03 WO disclosed