SCHEMBL9561323

SCHEMBL9561323

COCCOC(=O)Nc1ccc(Sc2ccc(O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.45
▸ RAB9A P51151 7/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ LMNA P02545 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ SMN1; SMN2 Q16637 7/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ MITF O75030 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ NOD2 Q9HC29 1/20 0.43
▸ POLB P06746 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ TSHR P16473 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
SCHEMBL842249 0.87 NPC1 (0.48) NPC1RAB9ACASP1LMNANPSR1
SCHEMBL8391733 0.82 NPC1 (0.54) NPC1RAB9ACASP1TP53SMN1; SMN2
SCHEMBL9127262 0.82 SMN1; SMN2 (0.47) NPC1RAB9ACASP1LMNANPSR1
SCHEMBL9125291 0.79 SMN1; SMN2 (0.44) NPC1RAB9ACASP1LMNANPSR1
SCHEMBL8238907 0.79 PKM (0.58) NPC1RAB9ACASP1LMNANPSR1
SCHEMBL9126182 0.78 GSK3B (0.39) NPC1RAB9ACASP1LMNANPSR1
SCHEMBL10360192 0.78 NPC1 (0.51) NPC1RAB9ACASP1LMNANPSR1
SCHEMBL9124444 0.78 NPC1 (0.49) NPC1RAB9ACASP1LMNANPSR1
SCHEMBL764568 0.77 SMN1; SMN2 (0.53) NPC1RAB9ACASP1LMNANPSR1
SCHEMBL5623097 0.77 NPC1 (0.68) NPC1RAB9ALMNANPSR1TP53

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-5270281-A Chromogenic compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-12-14 — — US disclosed
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