SCHEMBL18166360

SCHEMBL18166360

Cc1nnnn1-c1cc(OC(=O)NC(C)c2nccs2)cc(-c2ccc(F)cc2Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSA P10619 4/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
WDR5 P61964 2/20 0.32
P2RX7 Q99572 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 2/20 0.31
LMNA P02545 2/20 0.31
KMT2A Q03164 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
GPR139 Q6DWJ6 1/20 0.31
CYP11B2 P19099 1/20 0.30

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 0.90 P2RX3 (0.38) CTSANPC1RAB9AWDR5P2RX7
SCHEMBL18166387 0.89 TP53 (0.39) CTSANPC1RAB9AWDR5SMN1; SMN2
SCHEMBL18166458 0.89 P2RX3 (0.34) CTSANPC1RAB9AWDR5POLB
SCHEMBL10243831 0.88 P2RX3 (0.40) WDR5CYP11B2
SCHEMBL18166410 0.88 P2RX3 (0.34) CTSANPC1RAB9APOLBGAA
SCHEMBL18166358 0.85 P2RX3 (0.44) WDR5
SCHEMBL18036334 0.83 DGAT2 (0.36) CTSAWDR5MEN1LMNAKMT2A
SCHEMBL18036444 0.82 DGAT2 (0.38) CTSANPC1RAB9AWDR5SMN1; SMN2
SCHEMBL18166370 0.78 KMT2A (0.36) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL10244060 0.78 P2RX3 (0.51) NPC1RAB9AWDR5CYP11B2

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