SCHEMBL19773456

SCHEMBL19773456

CNCc1cnc(C(F)(F)F)nc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ VNN1 O95497 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TRPV3 Q8NET8 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ MRGPRX4 Q96LA9 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ P2RX3 P56373 1/20 0.31
▸ P2RX2 Q9UBL9 1/20 0.31

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
SCHEMBL1713357 0.78 CACNA1B (0.39) MAPTADRB2LOXL2
SCHEMBL12266204 0.76 RXRA (0.34) VNN1KDM4E
SCHEMBL15821835 0.75 MEN1 (0.32) VNN1MAPT
SCHEMBL297140 0.75 KDM1A (0.50) CYP3A4
SCHEMBL17501350 0.73 MALT1 (0.39) VNN1KDM4E
SCHEMBL6346128 0.73 KDM4E (0.41) VNN1KDM4ECYP3A4MAPTADRB2
SCHEMBL469205 0.72 NPC1 (0.37) KDM4EMAPK1
SCHEMBL10115885 0.72 ESR1 (0.35) —
SCHEMBL5659053 0.71 LOXL2 (0.44) VNN1ADRB2LOXL2
SCHEMBL1787959 0.71 VNN1 (0.30) VNN1

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-2411001-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2018-01-17 — — EP disclosed
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