SCHEMBL8309894

SCHEMBL8309894

CC(=O)CC(C)(C)NCc1csc(-c2cc3cc(OCc4ccccc4Cc4nnn[nH]4)ccc3o2)n1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
CASP3 P42574 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
S1PR1 P21453 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
SCHEMBL8314737 0.86 NPC1 (0.36) NPC1ALDH1A1LMNACASP3HTT
SCHEMBL8309897 0.85 NPC1 (0.32) NPC1ALDH1A1LMNACASP3HTT
SCHEMBL8315236 0.85 F2RL3 (0.32) HTT
SCHEMBL8316125 0.84 NPC1 (0.35) NPC1ALDH1A1LMNACASP3HTT
SCHEMBL8310428 0.82 F2RL3 (0.33)
Water SCHEMBL8314845 0.81 F2RL3 (0.32)
SCHEMBL8315851 0.81 NPC1 (0.39) NPC1ALDH1A1RAB9A
SCHEMBL8314647 0.81 S1PR1 (0.35) S1PR1
SCHEMBL8311502 0.80 S1PR1 (0.34) S1PR1
SCHEMBL8310707 0.79 F2RL3 (0.31)

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
EP-0528337-B1 New thiazolylbenzofuran derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1999-10-20 EP disclosed
EP-0528337-A1 New thiazolylbenzofuran derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-24 EP disclosed