SCHEMBL7430432

SCHEMBL7430432

BrCc1ccccc1-c1ccco1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
POLB P06746 4/20 0.39
MAPT P10636 4/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 2/20 0.39
PKM P14618 2/20 0.39
ALOX15 P16050 2/20 0.39
CASP1 P29466 2/20 0.39
PTPN7 P35236 2/20 0.39
RECQL P46063 2/20 0.39
BLM P54132 2/20 0.39
CASP7 P55210 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL9454470 0.80 ALDH1A1 (0.39) ALDH1A1POLBMAPTKDM4EHPGD
SCHEMBL477452 0.80 MAPT (0.46) ALDH1A1POLBMAPTKDM4EHPGD
SCHEMBL110763 0.80 DPP4 (0.50) ALDH1A1POLBMAPTKDM4EHPGD
SCHEMBL11281731 0.80 MAOB (0.39) ALDH1A1POLBMAPTKDM4EHPGD
SCHEMBL30038773 0.77 ALDH1A1 (0.41) ALDH1A1POLBMAPTKDM4EHPGD
SCHEMBL28546393 0.77 ALDH1A1 (0.41) ALDH1A1POLBMAPTKDM4EHPGD
SCHEMBL28311859 0.77 PTPN1 (0.42) ALDH1A1POLBMAPTKDM4EHPGD
SCHEMBL417395 0.76 PRMT6 (0.49) ALDH1A1POLBMAPTKDM4EHPGD
SCHEMBL5500798 0.76 ALDH1A1 (0.38) ALDH1A1POLBMAPTKDM4EHPGD
SCHEMBL10566263 0.76 GABRA1 (0.46) ALDH1A1POLBMAPTKDM4EHPGD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5252574-A Hypotensive agents, vision disorder MERCK & CO., INC. (US) 1993-10-12 US disclosed
US-5198438-A ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED THIOPHENE OR FURAN MERCK & CO., INC. (US) 1993-03-30 US disclosed
US-5177074-A Heterocyclic nitrogen compounds used to treat hypertension, cognitive dysfunction, anxiety or depression MERCK & CO., INC. (US) 1993-01-05 US disclosed
EP-0513979-A1 Angiotensin II antagonists incorporating a substituted thiophene or furan MERCK & CO. INC. (US) 1992-11-19 EP disclosed
EP-0512675-A1 Angiotensin II antagonists incorporating a substituted thiophene or furan MERCK & CO. INC. (US) 1992-11-11 EP disclosed
EP-0510812-A1 Angiotensin II antagonists incorporating a substituted thiophene or furan MERCK & CO. INC. (US) 1992-10-28 EP disclosed