SCHEMBL7874989

SCHEMBL7874989

C=Cc1ccc(-c2ccccc2Nc2cccc(C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
TP53 P04637 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ADORA2A P29274 1/20 0.42
MAPT P10636 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
CASP6 P55212 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
P2RY2 P41231 1/20 0.38
P2RY4 P51582 1/20 0.38
P2RY6 Q15077 1/20 0.38
P2RY12 Q9H244 1/20 0.38
LMNA P02545 2/20 0.37
APAF1 O14727 1/20 0.37

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
SCHEMBL7877481 0.86 TDP1 (0.44) NPSR1TP53TDP1MAPTL3MBTL1
SCHEMBL2504962 0.84 NPSR1 (0.62) NPSR1TP53TDP1ADORA2AMAPT
SCHEMBL17246942 0.84 NPSR1 (0.61) NPSR1TP53TDP1ADORA2AMAPT
SCHEMBL6666250 0.81 NPSR1 (0.50) NPSR1ADORA2AMAPTL3MBTL1ALDH1A1
SCHEMBL5357369 0.80 NPSR1 (0.49) NPSR1TP53TDP1ADORA2AMAPT
SCHEMBL5845995 0.78 HSD17B1 (0.36) NPSR1TP53TDP1MAPTALDH1A1
SCHEMBL5006775 0.77 NPSR1 (0.45) NPSR1TP53TDP1ADORA2AMAPT
SCHEMBL1922073 0.75 NPSR1 (0.72) NPSR1ADORA2AMAPTALDH1A1SMN1; SMN2
SCHEMBL7716047 0.74 NPSR1 (0.41) NPSR1TDP1MAPTL3MBTL1ALDH1A1
SCHEMBL7717151 0.74 NPSR1 (0.41) NPSR1TDP1MAPTL3MBTL1ALDH1A1

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-20010017155-A1 Of monovinylated triarylamine monomers; use in light emitting diodes or as components of photorefractive materials CALIFORNIA INSTITUTE OF TECHNOLOGY 2001-08-30 US disclosed