SCHEMBL21076992

SCHEMBL21076992

COCCC(C(=O)Nc1ccc(-c2cncc(OC)n2)cc1)c1csc(N[S+]([O-])C2CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 14/20 0.40
▸ GCK P35557 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ NAMPT P43490 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ ADRB3 P13945 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL21077234 0.88 CTPS1 (0.40) CTPS1GCKNTRK1RAB9A
SCHEMBL21076930 0.85 LIPG (0.36) CTPS1
SCHEMBL21076896 0.85 CTPS1 (0.44) CTPS1
SCHEMBL21077216 0.85 CTPS1 (0.49) CTPS1
SCHEMBL21077060 0.85 CTPS1 (0.56) CTPS1
SCHEMBL21044417 0.84 CTPS1 (0.54) CTPS1
SCHEMBL21077143 0.83 CTPS1 (0.44) CTPS1
SCHEMBL21076993 0.82 CTPS1 (0.48) CTPS1
SCHEMBL21077147 0.81 CTPS1 (0.54) CTPS1ADRB3MAPTRAB9A
SCHEMBL21077154 0.80 CTPS1 (0.46) CTPS1MAPT

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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