SCHEMBL21077141

SCHEMBL21077141

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

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 17/20 0.46
▸ CTPS2 Q9NRF8 4/20 0.46
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ RORC P51449 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
SCHEMBL21077173 0.89 CTPS1 (0.57) CTPS1CTPS2
SCHEMBL21076933 0.89 CTPS1 (0.46) CTPS1CTPS2KDM4EMAPTPOLB
SCHEMBL21077258 0.87 CTPS1 (0.45) CTPS1CTPS2MAPT
SCHEMBL21076966 0.86 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21077259 0.83 CTPS1 (0.48) CTPS1CTPS2POLB
SCHEMBL21077255 0.82 CTPS1 (0.46) CTPS1CTPS2MAPT
SCHEMBL21044205 0.82 CTPS1 (0.68) CTPS1CTPS2
SCHEMBL21077135 0.82 CTPS1 (0.52) CTPS1CTPS2RORC
SCHEMBL21076994 0.82 CTPS1 (0.48) CTPS1CTPS2
SCHEMBL30528811 0.82 CTPS1 (0.68) 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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