SCHEMBL21077134

SCHEMBL21077134

CC(C)(C(=O)Nc1ccc(-c2cccnc2)cc1Cl)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 11/20 0.58
▸ CTPS2 Q9NRF8 3/20 0.53
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ IRAK4 Q9NWZ3 2/20 0.38
▸ PDK1 Q15118 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ PDK3 Q15120 1/20 0.38
▸ PDK4 Q16654 1/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TTK P33981 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 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
SCHEMBL21077245 0.91 CTPS1 (0.58) CTPS1CTPS2NPC1RAB9AIRAK4
SCHEMBL21076890 0.88 CTPS1 (0.57) CTPS1CTPS2IRAK4
SCHEMBL21077113 0.86 CTPS1 (0.55) CTPS1CTPS2RAB9AMEN1ALDH1A1
SCHEMBL21077093 0.85 CTPS1 (0.55) CTPS1CTPS2ABL1
SCHEMBL21077207 0.84 CTPS1 (0.69) CTPS1CTPS2
SCHEMBL21044284 0.83 CTPS1 (0.82) CTPS1CTPS2
SCHEMBL30528910 0.83 CTPS1 (0.82) CTPS1CTPS2
SCHEMBL21077003 0.82 CTPS1 (0.56) CTPS1CTPS2NPC1RAB9AALDH1A1
SCHEMBL21077171 0.82 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21076938 0.82 CTPS1 (0.47) CTPS1CTPS2MAPK1IRAK4ALDH1A1

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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