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) —
SCHEMBL3930628 0.50 EPHX2 (0.44) PTGS2

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
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