SCHEMBL9512926

SCHEMBL9512926

CCCCc1nc(Cc2ccccc2Cl)c(CO)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
APLNR P35414 1/20 0.39
PARP1 P09874 1/20 0.39
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AR P10275 1/20 0.36

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
Hydrochloric Acid SCHEMBL9267601 0.87 PARP1 (0.39) HPGDAPLNRPARP1MAPTHTT
SCHEMBL28161278 0.85 PARP1 (0.41) APLNRPARP1MAPTHTTKDM4E
SCHEMBL9509544 0.83 APLNR (0.40) APLNRPARP1MAPTHTTKDM4E
SCHEMBL4356446 0.77 ALDH1A1 (0.42) HPGDPARP1
SCHEMBL8954337 0.76 EPHX2 (0.38) HPGDAPLNRPARP1HTT
SCHEMBL225 0.73 ALDH1A1 (0.41) PARP1KDM4E
SCHEMBL9081675 0.73 GPR84 (0.45) HPGD
SCHEMBL9529092 0.73 PARP1 (0.35) PARP1
SCHEMBL7610834 0.72 HPGD (0.40) HPGDPARP1MAPTHTTKDM4E
SCHEMBL9082364 0.71 GPR84 (0.46) HPGDMAPT

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-0561979-A1 USE OF ANGIOTENSIN II ANTAGONISTS IN THE TREATMENT OF ANGINA PECTORIS SMITHKLINE BEECHAM PLC (GB) 1993-09-29 EP disclosed