SCHEMBL21076957

SCHEMBL21076957

COc1ccnc(-c2ccc(NC(=O)C(C)(C)c3csc(N[S+]([O-])C4CC4)n3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 16/20 0.44
▸ CTPS2 Q9NRF8 3/20 0.44
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL21077133 0.85 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL21077258 0.84 CTPS1 (0.45) CTPS1CTPS2MAPT
SCHEMBL21044249 0.83 CTPS1 (0.66) CTPS1CTPS2
SCHEMBL30528941 0.83 CTPS1 (0.66) CTPS1CTPS2
SCHEMBL21077160 0.83 CTPS1 (0.54) CTPS1CTPS2
SCHEMBL21077255 0.82 CTPS1 (0.46) CTPS1CTPS2NPC1RAB9AMAPT
SCHEMBL21077191 0.82 CTPS1 (0.47) CTPS1CTPS2
SCHEMBL21077142 0.81 CTPS1 (0.49) CTPS1CTPS2MAPT
SCHEMBL21076994 0.80 CTPS1 (0.48) CTPS1CTPS2
SCHEMBL21076933 0.80 CTPS1 (0.46) CTPS1CTPS2NPC1RAB9AALDH1A1

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-3492454-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2019-06-05 — — EP disclosed
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