SCHEMBL17836886

SCHEMBL17836886

Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1Cc1cc[n+]([O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.61
▸ P2RX1 P51575 2/20 0.51
▸ GAA P10253 1/20 0.51
▸ AHR P35869 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ RXFP1 Q9HBX9 15/20 0.49

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
SCHEMBL27466657 0.85 PTGS1 (0.64) PTGS1P2RX1GAAAHRHSD17B10
SCHEMBL27609471 0.81 PTGS1 (0.60) PTGS1P2RX1GAAAHRHSD17B10
SCHEMBL27483851 0.81 PTGS1 (0.60) PTGS1P2RX1GAAAHRHSD17B10
SCHEMBL1863665 0.78 RXFP1 (0.80) RXFP1
SCHEMBL31424184 0.77 PTGS1 (1.00) PTGS1P2RX1GAAAHRHSD17B10
SCHEMBL4031509 0.77 PTGS1 (1.00) PTGS1P2RX1GAAAHRHSD17B10
SCHEMBL29392990 0.77 PTGS1 (1.00) PTGS1P2RX1GAAAHRHSD17B10
SCHEMBL27548630 0.76 PTGS1 (0.63) PTGS1P2RX1GAAAHRHSD17B10
SCHEMBL3110637 0.75 KDR (0.66) PTGS1RXFP1
SCHEMBL27486253 0.75 PTGS1 (0.58) PTGS1P2RX1GAAAHRHSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633336-B1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS NOVARTIS AG (CH) 2016-06-22 — — EP claimed
CN-1152014-C N-aryl (thio) anthranilic acid amide derivatives, their prepn. and their use as VEGF receptor tyrosine kinase inhibitors ��˹��ŵ�� 2004-06-02 — — CN claimed
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