SCHEMBL8631359

SCHEMBL8631359

CS(=O)(=O)c1ccc(-n2cc(-c3ccc(NC(=O)C(F)(F)F)cc3)cn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MELK Q14680 2/20 0.63
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
PTGS2 P35354 5/20 0.45
PTGS1 P23219 3/20 0.45
KMT2A Q03164 1/20 0.43
NTRK1 P04629 1/20 0.41
FLT3 P36888 1/20 0.41
FPR1 P21462 1/20 0.41
FPR2 P25090 1/20 0.41
KIF11 P52732 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
MAP4K4 O95819 1/20 0.40
POLB P06746 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA2 P17301 1/20 0.40

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
SCHEMBL8630160 0.79 MELK (0.65) MELKPTGS2PTGS1KIF11MAPKAPK2
SCHEMBL18850964 0.79 CA12 (0.70) CA12CA1CA2CA9KMT2A
SCHEMBL8628053 0.78 KMT2A (0.45) CA12CA1CA2CA9PTGS2
SCHEMBL8633662 0.75 MELK (0.76) MELKPTGS2PTGS1
SCHEMBL8630577 0.74 MELK (1.00) MELKPTGS2PTGS1MAPKAPK2MAP4K4
SCHEMBL28715217 0.72 RORC (0.63)
SCHEMBL27721532 0.70 ALKBH2 (0.64) MELKCA12CA9PTGS2PTGS1
SCHEMBL7772921 0.70 CA12 (0.47) CA12CA1CA2CA9PTGS2
SCHEMBL8629890 0.69 MELK (0.73) MELKCA12CA1CA2CA9
SCHEMBL7777513 0.68 CA12 (0.45) CA12CA1CA2CA9PTGS2

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
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed