SCHEMBL21077184

SCHEMBL21077184

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

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 11/20 0.46
▸ CTPS2 Q9NRF8 4/20 0.46
▸ ABCB1 P08183 2/20 0.39
▸ ABCC1 P33527 1/20 0.38
▸ NPY5R Q15761 4/20 0.36
▸ GRM5 P41594 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ABL1 P00519 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
SCHEMBL21077165 0.95 CTPS1 (0.47) CTPS1CTPS2KMT2A
SCHEMBL21077063 0.89 CTPS1 (0.49) CTPS1CTPS2
SCHEMBL21076934 0.89 CTPS1 (0.45) CTPS1CTPS2KMT2A
SCHEMBL21076932 0.88 CTPS1 (0.52) CTPS1CTPS2ABL1
SCHEMBL30528771 0.84 CTPS1 (0.66) CTPS1CTPS2
SCHEMBL21044584 0.84 CTPS1 (0.66) CTPS1CTPS2
SCHEMBL21076968 0.84 CTPS1 (0.48) CTPS1CTPS2
SCHEMBL21076974 0.84 CTPS1 (0.50) CTPS1CTPS2
SCHEMBL21077203 0.83 CTPS1 (0.51) CTPS1CTPS2ABL1
SCHEMBL21077153 0.82 CTPS1 (0.46) CTPS1CTPS2ABL1

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