SCHEMBL27355385

SCHEMBL27355385

COc1cc(C#N)ccc1-c1nnc(N)c2cnccc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 11/20 0.44
CYP11B1 P15538 2/20 0.40
CYP11B2 P19099 2/20 0.40
EGLN2 Q96KS0 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
CHUK O15111 1/20 0.37
ALPL P05186 1/20 0.36
NSD2 O96028 1/20 0.36
PLAU P00749 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL27355375 0.86 SCN9A (0.44) SCN9ACYP11B1CYP11B2EGLN2CCNT1
SCHEMBL31673746 0.83 MAOA (0.37) SCN9AALPL
SCHEMBL27355360 0.77 SCN9A (0.47) SCN9ACYP11B1CYP11B2CCNT1CDK9
SCHEMBL26517604 0.77 UGCG (0.39) SCN9A
SCHEMBL30876888 0.75 SCN9A (0.38) SCN9ACYP11B1CYP11B2CCNT1CDK9
SCHEMBL25857355 0.74 PIP4K2A (0.30)
SCHEMBL26516215 0.72 MGAT2 (0.41) CYP11B1CYP11B2CHUK
SCHEMBL25854611 0.71 EP300 (0.37)
SCHEMBL30108683 0.71 PDE5A (0.46) SCN9ACYP11B1CYP11B2EGLN2PLAU
SCHEMBL30108822 0.71 AR (0.43) SCN9ACYP11B1CYP11B2EGLN2NSD2

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
WO-2024141535-A1 NLRP3 INFLAMMASOME INHIBITORS ASTRAZENECA AB (SE) 2024-07-04 WO disclosed