SCHEMBL7303033

SCHEMBL7303033

Cc1ccc2oc(-c3ccccc3C(=O)OCc3ccccc3)c(Br)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
DHODH Q02127 3/20 0.45
ALOX5 P09917 1/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
ATM Q13315 1/20 0.43
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 2/20 0.42
RAB9A P51151 3/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CASP3 P42574 1/20 0.41

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
SCHEMBL9309848 0.89 ALOX5 (0.53) NPC1MEN1KMT2AALOX5KDM4E
SCHEMBL7314770 0.87 TSHR (0.45) NPC1KMT2AALOX5POLBALDH1A1
SCHEMBL7303042 0.86 NPC1 (0.47) NPC1MEN1KMT2ADHODHPOLB
SCHEMBL7302152 0.84 KDM4E (0.46) NPC1MEN1KMT2AALOX5KDM4E
SCHEMBL7312942 0.83 KDM4E (0.62) NPC1MEN1KMT2AKDM4EPOLB
SCHEMBL7302852 0.81 KDM4E (0.44) NPC1MEN1KMT2AALOX5KDM4E
SCHEMBL9313939 0.80 ALOX5 (0.50) MEN1KMT2AALOX5KDM4EALDH1A1
SCHEMBL8544446 0.75 HTT (0.45) KMT2AALOX5KDM4EALDH1A1ATM
SCHEMBL9309854 0.74 TSHR (0.47) NPC1MEN1KMT2AALOX5KDM4E
SCHEMBL7314778 0.73 TSHR (0.46) NPC1MEN1KMT2APOLBALDH1A1

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