SCHEMBL21076996

SCHEMBL21076996

CC(C)(C(=O)Nc1ccc(-c2ncccn2)cc1)c1csc(NSC2CC2)n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 15/20 0.53
▸ CTPS2 Q9NRF8 4/20 0.53
▸ MEN1 O00255 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ATAD2 Q6PL18 1/20 0.37

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
SCHEMBL21076824 0.85 CTPS1 (0.48) CTPS1CTPS2MEN1NPC1RAB9A
SCHEMBL21044239 0.83 CTPS1 (0.76) CTPS1CTPS2
SCHEMBL21077177 0.82 CTPS1 (0.51) CTPS1CTPS2NPC1KMT2A
SCHEMBL21077121 0.80 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL21077116 0.79 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL22762521 0.79 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21077197 0.79 CTPS1 (0.58) CTPS1CTPS2
SCHEMBL21077123 0.78 CTPS1 (0.43) CTPS1CTPS2MEN1RAB9AKMT2A
SCHEMBL21076854 0.76 CTPS1 (0.47) CTPS1CTPS2MEN1KMT2ASMN1; SMN2
SCHEMBL21077100 0.75 CTPS1 (0.48) CTPS1CTPS2MEN1NPC1RAB9A

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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