SCHEMBL8551952

SCHEMBL8551952

C=CCc1ccc(Nc2ccc(Nc3ccc(CC=C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ MAPT P10636 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ PRKCA P17252 1/20 0.44
▸ P2RY12 Q9H244 5/20 0.44
▸ P2RY4 P51582 4/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ SIRT2 Q8IXJ6 1/20 0.43

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
SCHEMBL10761700 0.88 MAPT (0.47) NPC1LMNAMAPK1RAB9ATDP1
SCHEMBL11575989 0.83 P2RY12 (0.46) NPC1LMNAMAPK1RAB9ATDP1
SCHEMBL1802604 0.80 NPC1 (0.55) NPC1LMNAMAPK1RAB9ATDP1
SCHEMBL1800594 0.80 LMNA (0.50) NPC1LMNAMAPK1RAB9ATDP1
SCHEMBL3975751 0.80 P2RY4 (0.62) NPC1LMNAMAPK1RAB9ATDP1
SCHEMBL11606520 0.79 P2RY12 (0.60) NPC1LMNAMAPK1RAB9ATDP1
SCHEMBL8551947 0.78 P2RY4 (0.44) NPC1LMNAMAPK1RAB9ATDP1
SCHEMBL375688 0.78 LMNA (0.87) NPC1LMNAMAPK1RAB9ATDP1
SCHEMBL13135365 0.78 NPC1 (0.65) NPC1LMNAMAPK1RAB9ATDP1
SCHEMBL11605977 0.77 P2RY12 (0.57) NPC1LMNAMAPK1RAB9ATDP1

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
EP-0625552-B1 Water-reducible dye compositions MORTON INT INC (US) 1999-01-07 — — EP disclosed
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