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Sugi Predict / Compounds / SCHEMBL18166386

SCHEMBL18166386

SCHEMBL18166386

CNc1cc([C@H](C)NC(=O)Oc2cc(-c3ccc(C)cc3)cc(-n3nnnc3C(C)C)c2)ncn1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 2/20 0.41
▸ P2RX2 Q9UBL9 2/20 0.41
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NLRP1 Q9C000 1/20 0.31
▸ MAP3K5 Q99683 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
SCHEMBL10243839 0.87 P2RX3 (0.55) P2RX3P2RX2
SCHEMBL18166432 0.83 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL18166278 0.83 P2RX3 (0.41) P2RX3P2RX2LMNATP53HSP90AA1
SCHEMBL18166391 0.83 P2RX3 (0.42) P2RX3P2RX2LMNATP53HSP90AA1
SCHEMBL18166374 0.83 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL18166322 0.83 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL18166419 0.83 P2RX3 (0.41) P2RX3P2RX2LMNATP53HSP90AA1
SCHEMBL18166279 0.83 P2RX3 (0.42) P2RX3P2RX2LMNATP53HSP90AA1
SCHEMBL18166407 0.82 P2RX3 (0.41) P2RX3P2RX2LMNATP53HSP90AA1
SCHEMBL18166342 0.81 P2RX3 (0.41) P2RX3P2RX2LMNATP53HSP90AA1

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