SCHEMBL13844934

SCHEMBL13844934

Cc1cn2cc(C3=CC(c4noc(CNCc5ccc(S(C)(=O)=O)cc5)n4)CC=C3)nc2s1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.30

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
SCHEMBL44636 0.54 TP53 (0.43)
SCHEMBL14758396 0.54 TP53 (0.56)
SCHEMBL21165326 0.53 CA2 (0.66) PTGS2
SCHEMBL4033353 0.52 HTR1A (0.42) PTGS2
SCHEMBL14508573 0.52 EPHX2 (0.46)
SCHEMBL44571 0.51 NOTUM (0.47)
SCHEMBL1118359 0.51 GPR119 (0.48)
SCHEMBL12997562 0.50 SMN1; SMN2 (0.57)
SCHEMBL9283676 0.50 CA1 (0.54)
SCHEMBL4273112 0.50 CA2 (0.47)

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
WO-2009059162-A1 CYTOKINE INHIBITORS HUTCHISON MEDIPHARMA ENTERPRISES LIMITED (BS) 2009-05-07 WO disclosed