SCHEMBL21077234

SCHEMBL21077234

COc1cncc(-c2ccc(NC(=O)C(OC)c3csc(N[S+]([O-])C4CC4)n3)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 12/20 0.40
▸ NTRK1 P04629 2/20 0.35
▸ BACE1 P56817 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ GCK P35557 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KCNQ1 P51787 1/20 0.32

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
SCHEMBL21076992 0.88 CTPS1 (0.40) CTPS1NTRK1RAB9AGCK
SCHEMBL21077175 0.83 CTPS1 (0.44) CTPS1MEN1KMT2ANPC1RAB9A
SCHEMBL21077154 0.83 CTPS1 (0.46) CTPS1MEN1KMT2AALDH1A1LMNA
SCHEMBL22491734 0.83 CTPS1 (0.55) CTPS1
SCHEMBL21044263 0.83 CTPS1 (0.55) CTPS1
SCHEMBL22491626 0.83 CTPS1 (0.55) CTPS1
SCHEMBL21077060 0.83 CTPS1 (0.56) CTPS1
SCHEMBL21077160 0.82 CTPS1 (0.54) CTPS1
SCHEMBL21077216 0.81 CTPS1 (0.49) CTPS1
SCHEMBL22762514 0.81 CTPS1 (0.46) CTPS1

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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