SCHEMBL18654634

SCHEMBL18654634

Cc1nc2ccc(-c3ccccc3OC(F)(F)F)nn2c1C(=O)Nc1ccc(O)nn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 4/20 0.42
▸ SCN5A Q14524 1/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ SCN2A Q99250 1/20 0.42
▸ SCN3A Q9NY46 1/20 0.42
▸ RIPK1 Q13546 11/20 0.40
▸ ABL1 P00519 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL14896824 0.93 SCN10A (0.43) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL14896837 0.90 RIPK1 (0.41) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL16193146 0.88 SCN10A (0.40) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL14896733 0.88 RIPK1 (0.40) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL14897347 0.86 RIPK1 (0.44) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL14897090 0.86 RIPK1 (0.42) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL16193152 0.84 RIPK1 (0.42) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL16193151 0.83 MPL (0.42) SCN10ASCN5ASCN9ASCN2ASCN3A
SCHEMBL14896947 0.83 EPHB3 (0.40) SCN10AABL1
SCHEMBL14896757 0.83 NAMPT (0.45) SCN10ASCN5ASCN9ASCN2ASCN3A

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-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
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