SCHEMBL18166458

SCHEMBL18166458

CCCc1nnnn1-c1cc(OC(=O)NC(C)c2nccs2)cc(-c2ccc(F)cc2Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
CTSA P10619 7/20 0.34
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
WDR5 P61964 1/20 0.31
PTGS2 P35354 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
SCHEMBL18166369 0.94 P2RX3 (0.38) P2RX3P2RX2CTSANPC1RAB9A
SCHEMBL18166360 0.89 CTSA (0.33) CTSANPC1RAB9AMAPTPOLB
SCHEMBL10243628 0.88 P2RX3 (0.46) P2RX3P2RX2CTSANPC1RAB9A
SCHEMBL18166387 0.86 TP53 (0.39) CTSANPC1RAB9AMAPTSMN1; SMN2
SCHEMBL18166412 0.86 P2RX3 (0.50) P2RX3P2RX2WDR5
SCHEMBL18166339 0.85 P2RX3 (0.48) P2RX3P2RX2CTSANPC1RAB9A
SCHEMBL18036416 0.85 DGAT2 (0.34) P2RX3P2RX2MAPTPTGS2
SCHEMBL18036396 0.84 DGAT2 (0.37) P2RX3P2RX2CTSAMAPTPTGS2
SCHEMBL10244060 0.82 P2RX3 (0.51) P2RX3P2RX2NPC1RAB9AWDR5
SCHEMBL18166270 0.80 P2RX3 (0.55) P2RX3P2RX2WDR5

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-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP claimed