SCHEMBL21076892

SCHEMBL21076892

CC(C)(C(=O)Nc1ncc(-c2cncc(C(F)(F)F)n2)cc1F)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 20/20 0.55
▸ CTPS2 Q9NRF8 3/20 0.55

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
SCHEMBL21077155 0.89 CTPS1 (0.43) CTPS1CTPS2
SCHEMBL21077104 0.88 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21077043 0.88 CTPS1 (0.72) CTPS1CTPS2
SCHEMBL21077070 0.86 CTPS1 (0.44) CTPS1CTPS2
SCHEMBL21077173 0.85 CTPS1 (0.57) CTPS1CTPS2
SCHEMBL21077061 0.84 CTPS1 (0.43) CTPS1CTPS2
SCHEMBL21044414 0.84 CTPS1 (0.78) CTPS1CTPS2
SCHEMBL30529050 0.84 CTPS1 (0.78) CTPS1CTPS2
SCHEMBL21077003 0.84 CTPS1 (0.56) CTPS1CTPS2
SCHEMBL21076966 0.82 CTPS1 (0.58) 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
Send feedback