SCHEMBL21077113

SCHEMBL21077113

CC(C)(C(=O)Nc1ccc(-c2cccnc2)c(Cl)c1)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 10/20 0.55
▸ CTPS2 Q9NRF8 2/20 0.55
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NPY2R P49146 1/20 0.38
▸ BLM P54132 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ NTMT1 Q9BV86 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 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
SCHEMBL21077134 0.86 CTPS1 (0.58) CTPS1CTPS2MEN1KMT2ARAB9A
SCHEMBL21077207 0.85 CTPS1 (0.69) CTPS1CTPS2
SCHEMBL21044286 0.83 CTPS1 (0.79) CTPS1CTPS2
SCHEMBL21077093 0.82 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21077065 0.82 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL21077135 0.81 CTPS1 (0.52) CTPS1CTPS2
SCHEMBL21077245 0.81 CTPS1 (0.58) CTPS1CTPS2RAB9A
SCHEMBL21077114 0.81 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21077008 0.80 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL21077003 0.80 CTPS1 (0.56) CTPS1CTPS2RAB9ANTMT1ALDH1A1

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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