SCHEMBL29856201

SCHEMBL29856201

Cn1c(C2CC2)c(C(=O)c2ccc(O)c(C#N)c2)c2ccncc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.43
SLC22A12 Q96S37 2/20 0.38
HIPK2 Q9H2X6 2/20 0.35
XDH P47989 1/20 0.34
ROCK2 O75116 3/20 0.34
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
USP14 P54578 1/20 0.33
GCGR P47871 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL29856251 0.85 ELANE (0.41) ELANESLC22A12HIPK2ROCK2ADORA3
SCHEMBL29856329 0.85 ELANE (0.41) ELANESLC22A12HIPK2ROCK2ADORA3
SCHEMBL29856198 0.85 ELANE (0.41) ELANESLC22A12HIPK2ROCK2ADORA3
SCHEMBL29856274 0.82 ROCK2 (0.36) ELANEHIPK2ROCK2ADORA3ADORA2A
SCHEMBL29856218 0.78 SLC22A12 (0.44) ELANESLC22A12HIPK2ROCK2ADORA3
SCHEMBL29856309 0.78 SLC22A12 (0.39) ELANESLC22A12HIPK2ROCK2ADORA3
SCHEMBL29856150 0.74 SLC22A12 (0.42) ELANESLC22A12ROCK2ADORA3ADORA2A
SCHEMBL29856491 0.74 SLC22A12 (0.38) SLC22A12ROCK2ADORA3ADORA2A
SCHEMBL29856578 0.67 ELANE (0.38) ELANESLC22A12HIPK2ROCK2ADORA3
SCHEMBL29856503 0.65 ADORA3 (0.44) ROCK2ADORA3ADORA2AUSP14KDM4E

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-2022169974-A1 INHIBITORS OF URAT1 AND PHARMACEUTICAL USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2022-08-11 WO disclosed