SCHEMBL21077253

SCHEMBL21077253

CCC(C(=O)Nc1ccc(-c2cnccn2)cc1F)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 13/20 0.58
▸ CTPS2 Q9NRF8 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PSMD14 O00487 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MLLT1 Q03111 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
SCHEMBL21076917 0.88 CTPS1 (0.59) CTPS1CTPS2
SCHEMBL21076935 0.88 CTPS1 (0.51) CTPS1CTPS2MEN1KMT2APSMD14
SCHEMBL21076910 0.86 CTPS1 (0.47) CTPS1CTPS2MEN1KMT2APSMD14
SCHEMBL21077112 0.85 CTPS1 (0.56) CTPS1MEN1KMT2APSMD14
SCHEMBL31152525 0.84 CTPS1 (0.76) CTPS1CTPS2
SCHEMBL21044450 0.84 CTPS1 (0.76) CTPS1CTPS2
SCHEMBL21077068 0.83 CTPS1 (0.52) CTPS1CTPS2
SCHEMBL21077158 0.82 CTPS1 (0.60) CTPS1CTPS2
SCHEMBL21077048 0.78 CTPS1 (0.43) CTPS1ABL1
SCHEMBL21077199 0.77 CTPS1 (0.53) CTPS1CTPS2MEN1KMT2ANPC1

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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