SCHEMBL21076933

SCHEMBL21076933

CC(C)(C(=O)Nc1ccc(-c2cccc(Cl)n2)cc1)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 16/20 0.46
▸ CTPS2 Q9NRF8 4/20 0.46
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34

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
SCHEMBL21077058 0.89 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL21077141 0.89 CTPS1 (0.46) CTPS1CTPS2MAPTPOLBKDM4E
SCHEMBL21077258 0.88 CTPS1 (0.45) CTPS1CTPS2MAPTMEN1KMT2A
SCHEMBL21077135 0.86 CTPS1 (0.52) CTPS1CTPS2
SCHEMBL21077114 0.84 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21076994 0.83 CTPS1 (0.48) CTPS1CTPS2
SCHEMBL21077255 0.83 CTPS1 (0.46) CTPS1CTPS2MAPTNPC1RAB9A
SCHEMBL21077083 0.82 CTPS1 (0.44) CTPS1CTPS2
SCHEMBL21077065 0.82 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL21044121 0.82 CTPS1 (0.69) 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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