SCHEMBL9509544

SCHEMBL9509544

CCCCc1nc(Cc2ccccc2Cl)c(COC(C)=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.40
ALOX5 P09917 2/20 0.39
HTT P42858 2/20 0.37
PARP1 P09874 1/20 0.37
PTGES O14684 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX15 P16050 1/20 0.35
MAPK1 P28482 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
SCHEMBL28161278 0.83 PARP1 (0.41) APLNRHTTPARP1KDM4ELMNA
SCHEMBL9512926 0.83 HPGD (0.41) APLNRHTTPARP1KDM4ELMNA
Hydrochloric Acid SCHEMBL9267601 0.80 PARP1 (0.39) APLNRHTTPARP1ALDH1A1KDM4E
SCHEMBL8954337 0.78 EPHX2 (0.38) APLNRALOX5HTTPARP1PTGES
SCHEMBL9212125 0.72 ALDH1A1 (0.36) PARP1ALDH1A1MAPTMAPK1
SCHEMBL10005229 0.71 KDM4E (0.48) ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL9529092 0.71 PARP1 (0.35) PARP1
SCHEMBL8957092 0.71 ALDH1A1 (0.39) PARP1ALDH1A1MAPTMAPK1
SCHEMBL8741912 0.70 AGTR1 (0.36) APLNRPARP1
SCHEMBL672823 0.69 ALOX5 (0.44) ALOX5HTTPTGESALDH1A1KDM4E

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-0561895-A1 USE OF ANGIOTENSIN II RECEPTOR ANTAGONISTS IN THE PREVENTION OF RESTINOSIS SMITHKLINE BEECHAM PLC (GB) 1993-09-29 EP disclosed