SCHEMBL21076898

SCHEMBL21076898

CC(C(=O)Nc1ccc(-c2cncc(Cl)c2)cc1)c1csc(NSC2CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTPS1 P17812 7/20 0.46
▸ PTGES O14684 11/20 0.40
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ PTGS2 P35354 4/20 0.36

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
SCHEMBL21044289 0.84 CTPS1 (0.60) CTPS1
SCHEMBL21076874 0.79 CTPS1 (0.45) CTPS1ABL1PTGS2
SCHEMBL21077111 0.78 CTPS1 (0.46) CTPS1
SCHEMBL21044519 0.75 CTPS1 (0.56) CTPS1
SCHEMBL22762461 0.75 CTPS1 (0.55) CTPS1
SCHEMBL29566729 0.74 CTPS1 (0.73) CTPS1
SCHEMBL21077106 0.74 CTPS1 (0.73) CTPS1
SCHEMBL21392133 0.74 CTPS1 (0.74) CTPS1
SCHEMBL21077270 0.73 CTPS1 (0.51) CTPS1PTGES
SCHEMBL21076894 0.72 CTPS1 (0.52) 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
Send feedback