SCHEMBL21077165

SCHEMBL21077165

COc1cc(OC)cc(-c2ccc(NC(=O)C(C)(C)c3csc(N[S+]([O-])C4CC4)n3)nc2)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 14/20 0.47
▸ CTPS2 Q9NRF8 4/20 0.47
▸ KMT2A Q03164 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ WNT3A P56704 2/20 0.35

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
SCHEMBL21077184 0.95 CTPS1 (0.46) CTPS1CTPS2KMT2A
SCHEMBL21076934 0.93 CTPS1 (0.45) CTPS1CTPS2KMT2ANPC1RAB9A
SCHEMBL21077063 0.93 CTPS1 (0.49) CTPS1CTPS2
SCHEMBL21077203 0.86 CTPS1 (0.51) CTPS1CTPS2WNT3A
SCHEMBL21077163 0.85 CTPS1 (0.46) CTPS1CTPS2
SCHEMBL21077153 0.85 CTPS1 (0.46) CTPS1CTPS2
SCHEMBL21076968 0.85 CTPS1 (0.48) CTPS1CTPS2
SCHEMBL21076974 0.85 CTPS1 (0.50) CTPS1CTPS2
SCHEMBL21077093 0.85 CTPS1 (0.55) CTPS1CTPS2WNT3A
SCHEMBL21076932 0.85 CTPS1 (0.52) CTPS1CTPS2

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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