SCHEMBL18166452

SCHEMBL18166452

Cc1cnc(CNC(=O)Oc2cc(-c3ccc(Cl)cc3)cc(-n3nnnc3C(C)C)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 12/20 0.39
P2RX2 Q9UBL9 12/20 0.39
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
MALT1 Q9UDY8 2/20 0.34
MAP3K5 Q99683 1/20 0.33

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
SCHEMBL18166446 0.93 P2RX3 (0.45) P2RX3P2RX2
SCHEMBL18166281 0.89 P2RX3 (0.41) P2RX3P2RX2MAP3K5
SCHEMBL18166371 0.88 P2RX3 (0.46) P2RX3P2RX2
SCHEMBL18166289 0.87 P2RX3 (0.39) P2RX3P2RX2
SCHEMBL10245028 0.87 P2RX3 (0.53) P2RX3P2RX2
SCHEMBL18166356 0.86 P2RX3 (0.43) P2RX3P2RX2
SCHEMBL18166462 0.86 P2RX3 (0.38) P2RX3P2RX2MEN1LMNACYP1A2
SCHEMBL18166350 0.86 P2RX3 (0.43) P2RX3P2RX2
SCHEMBL18166429 0.86 P2RX3 (0.43) P2RX3P2RX2
SCHEMBL18166294 0.85 P2RX3 (0.43) P2RX3P2RX2

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