SCHEMBL21077069

SCHEMBL21077069

Cc1cnc(C)c(-c2ccc(NC(=O)C(C)(C)c3csc(N[S+]([O-])C4CC4)n3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 17/20 0.46
▸ CTPS2 Q9NRF8 4/20 0.46
▸ ATAD2 Q6PL18 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL21077083 0.93 CTPS1 (0.44) CTPS1CTPS2ATAD2
SCHEMBL21077142 0.90 CTPS1 (0.49) CTPS1CTPS2MAPT
SCHEMBL21077255 0.88 CTPS1 (0.46) CTPS1CTPS2MAPTNPC1RAB9A
SCHEMBL21076994 0.86 CTPS1 (0.48) CTPS1CTPS2
SCHEMBL21077114 0.84 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21077118 0.84 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL21076872 0.83 CTPS1 (0.52) CTPS1CTPS2
SCHEMBL21077008 0.82 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL21044440 0.82 CTPS1 (0.69) CTPS1CTPS2
SCHEMBL21076924 0.80 CTPS1 (0.53) 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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