SCHEMBL21077003

SCHEMBL21077003

CC(C)(C(=O)Nc1ncc(-c2cccnc2)cc1F)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 14/20 0.56
▸ CTPS2 Q9NRF8 3/20 0.50
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NTMT1 Q9BV86 1/20 0.34
▸ ABCB1 P08183 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
SCHEMBL21077070 0.88 CTPS1 (0.44) CTPS1CTPS2
SCHEMBL21077093 0.86 CTPS1 (0.55) CTPS1CTPS2ABCB1
SCHEMBL21077061 0.86 CTPS1 (0.43) CTPS1CTPS2
SCHEMBL21076892 0.84 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL30528976 0.83 CTPS1 (0.79) CTPS1CTPS2
SCHEMBL21044176 0.83 CTPS1 (0.79) CTPS1CTPS2
SCHEMBL21077134 0.82 CTPS1 (0.58) CTPS1CTPS2ALDH1A1NPC1RAB9A
SCHEMBL21077245 0.82 CTPS1 (0.58) CTPS1CTPS2NPC1RAB9AABCB1
SCHEMBL21077155 0.82 CTPS1 (0.43) CTPS1CTPS2
SCHEMBL21077207 0.81 CTPS1 (0.69) 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
Send feedback