SCHEMBL7314770

SCHEMBL7314770

O=C(OCc1ccccc1)c1ccccc1-c1oc2ccc(CBr)cc2c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
NPC1 O15118 2/20 0.41
ATM Q13315 1/20 0.41
ALOX5 P09917 1/20 0.40
AKR1B1 P15121 1/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9313939 0.88 ALOX5 (0.50) TSHRALDH1A1L3MBTL1ALOX5KMT2A
SCHEMBL7303033 0.87 NPC1 (0.46) TSHRALDH1A1TDP1L3MBTL1NPC1
SCHEMBL7314778 0.86 TSHR (0.46) TSHRALDH1A1TDP1L3MBTL1NPC1
SCHEMBL8544446 0.86 HTT (0.45) ALDH1A1ATMALOX5KMT2ASLC6A2
SCHEMBL7303326 0.83 ALOX5 (0.38) ALOX5
SCHEMBL9571330 0.77 CYP4F2 (0.53) TSHRALDH1A1L3MBTL1ALOX5KMT2A
SCHEMBL9309848 0.76 ALOX5 (0.53) TSHRALDH1A1TDP1L3MBTL1NPC1
SCHEMBL9318281 0.76 ALDH1A1 (0.40) ALDH1A1MAPT
SCHEMBL7301212 0.75 AGTR1 (0.69)
SCHEMBL9320103 0.75 SLC6A3 (0.43) ALDH1A1NPC1ATMALOX5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5310927-A Hypotensive agents; cognition activators; imidazolyl-2-aryl derivatives GLAXO GROUP LIMITED (GB) 1994-05-10 US disclosed
EP-0514193-A1 N-linked imidazolyl-methyl benzofuran derivatives with antihypotensive activity GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed
WO-1992016552-A1 1-IMIDAZOLGEMETHYL BENZOFURAN DERIVATIVES AS INHIBITORS OF ANGIOTENSIN II ACTIVITY GLAXO GROUP LIMITED (GB) 1992-10-01 WO disclosed
EP-0505954-A1 N-Imidazolylmethyl benzofuran derivatives as inhibitors of angiotensin II activity GLAXO GROUP LIMITED (GB) 1992-09-30 EP disclosed