SCHEMBL21077188

SCHEMBL21077188

CC(C)(C(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 10/20 0.51
▸ CTPS2 Q9NRF8 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDR P35968 2/20 0.37
▸ TEK Q02763 1/20 0.37
▸ PIM1 P11309 2/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ PIM3 Q86V86 1/20 0.36
▸ PIM2 Q9P1W9 1/20 0.36
▸ ABL1 P00519 2/20 0.36
▸ TRPA1 O75762 1/20 0.36
▸ PTGS1 P23219 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ BCR P11274 1/20 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
SCHEMBL21077153 0.93 CTPS1 (0.46) CTPS1CTPS2ABL1
SCHEMBL21076934 0.88 CTPS1 (0.45) CTPS1CTPS2
SCHEMBL21077093 0.86 CTPS1 (0.55) CTPS1CTPS2ABL1
SCHEMBL21077203 0.84 CTPS1 (0.51) CTPS1CTPS2ABL1
SCHEMBL21076932 0.84 CTPS1 (0.52) CTPS1CTPS2ABL1
SCHEMBL21077178 0.84 CTPS1 (0.44) CTPS1CTPS2
SCHEMBL21044219 0.83 CTPS1 (0.72) CTPS1CTPS2
SCHEMBL30528948 0.83 CTPS1 (0.72) CTPS1CTPS2
SCHEMBL21077165 0.83 CTPS1 (0.47) CTPS1CTPS2
SCHEMBL21077050 0.83 CTPS1 (0.51) 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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