SCHEMBL9507529

SCHEMBL9507529

CCCCCCCCCCc1c(C(=O)O)nc(CC)c2nc[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
XDH P47989 3/20 0.37
HCAR2 Q8TDS4 2/20 0.36
GCGR P47871 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
PAK1 Q13153 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
LMNA P02545 1/20 0.36
HCAR3 P49019 1/20 0.35
RARB P10826 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2A P29274 1/20 0.34
GPR35 Q9HC97 3/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34

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
SCHEMBL5701035 0.70 HCAR2 (0.44) HCAR2ALDH1A1HAO1HCAR3RARB
SCHEMBL14692540 0.69 CYP2C19 (0.57) KDM4EHCAR2ALDH1A1ATMHAO1
Hydrochloric Acid SCHEMBL8343134 0.67 PDE4A (0.41) XDHADORA2BADORA3ADORA2ACDK1
SCHEMBL15868907 0.66 PARP1 (0.36) KDM4EXDHLMNA
SCHEMBL8525156 0.66 PDE4A (0.43) XDHADORA2BADORA3ADORA2ACDK1
SCHEMBL27640070 0.66 GABRP (0.44) KDM4EHCAR2GCGRALDH1A1HAO1
SCHEMBL9443825 0.65 HRH3 (0.33) XDHPAK1CDK1CCNB1
SCHEMBL3604705 0.65 RARB (0.43) KDM4EHCAR2ALDH1A1HCAR3RARB
SCHEMBL3916646 0.65 RARB (0.43) KDM4EHCAR2ALDH1A1HCAR3RARB
SCHEMBL8624574 0.65 RARB (0.43) KDM4EHCAR2ALDH1A1HCAR3RARB

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-0551432-A1 4,5,6,7-TETRAHYDRO-1H-IMIDAZO 4,5-C]PYRIDINE DERIVATIVES AND ANALOGUES AS ANGIOTENSIN II RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1993-07-21 EP disclosed