SCHEMBL23718322

SCHEMBL23718322

C=Nc1ncc(C)c2c(=O)n(C)cnc12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SYK P43405 4/20 0.32
TRPA1 O75762 1/20 0.32
F2RL3 Q96RI0 2/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 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
SCHEMBL20203287 0.79 BCAT2 (0.39) BCAT2LMNAHPGDSYKTRPA1
SCHEMBL20203286 0.76 TRPA1 (0.45) BCAT2LMNAHPGDSYKTRPA1
SCHEMBL20203370 0.73 TRPA1 (0.46) BCAT2LMNAHPGDSYKTRPA1
SCHEMBL20203176 0.69 TRPA1 (0.41) BCAT2LMNAHPGDSYKTRPA1
SCHEMBL20203179 0.65 TRPA1 (0.42) BCAT2LMNAHPGDSYKTRPA1
SCHEMBL18964872 0.62 MAPT (0.43) BCAT2LMNAHPGDMAPTTHRB
SCHEMBL15801414 0.62 PARP1 (0.49) BCAT2LMNAHPGDTRPA1
SCHEMBL24242354 0.62 ALDH1A1 (0.34) BCAT2LMNAHPGDSYKF2RL3
SCHEMBL15801422 0.62 F2RL3 (0.40) BCAT2LMNAHPGDF2RL3
SCHEMBL23718230 0.61 ADORA2B (0.33) BCAT2LMNAHPGD

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-3544979-B1 OXADIAZOLONES AS TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed