SCHEMBL21077164

SCHEMBL21077164

CC(C)(C(=O)Nc1ccc(-c2cccnc2F)cc1)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 16/20 0.49
▸ CTPS2 Q9NRF8 4/20 0.49
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 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
SCHEMBL21077118 0.92 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL21077259 0.91 CTPS1 (0.48) CTPS1CTPS2MEN1NPC1ALDH1A1
SCHEMBL21044326 0.82 CTPS1 (0.72) CTPS1CTPS2
SCHEMBL21077008 0.82 CTPS1 (0.51) CTPS1CTPS2
SCHEMBL21077142 0.82 CTPS1 (0.49) CTPS1CTPS2
SCHEMBL21077146 0.82 CTPS1 (0.49) CTPS1CTPS2
SCHEMBL21077114 0.81 CTPS1 (0.55) CTPS1CTPS2
SCHEMBL21076924 0.81 CTPS1 (0.53) CTPS1CTPS2
SCHEMBL21077141 0.81 CTPS1 (0.46) CTPS1CTPS2POLB
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