SCHEMBL7303042

SCHEMBL7303042

Cc1ccc2c(-c3ccccc3C(=O)OCc3ccccc3)oc(Br)c2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
DHODH Q02127 3/20 0.45
ALDH1A1 P00352 2/20 0.44
TSHR P16473 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
AKR1B1 P15121 1/20 0.40
POLB P06746 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
SCHEMBL9309854 0.89 TSHR (0.47) NPC1MEN1KMT2AALDH1A1TSHR
SCHEMBL7314778 0.87 TSHR (0.46) NPC1MEN1KMT2AALDH1A1TSHR
SCHEMBL7303033 0.86 NPC1 (0.46) NPC1MEN1KMT2ADHODHALDH1A1
SCHEMBL7302158 0.84 SLC6A3 (0.46) NPC1MEN1KMT2AALDH1A1TSHR
SCHEMBL7312950 0.82 KDM4E (0.53) NPC1MEN1KMT2AALDH1A1TSHR
SCHEMBL7302856 0.81 AR (0.38) NPC1MEN1KMT2AALDH1A1RAB9A
SCHEMBL9313945 0.79 CYP4F2 (0.48) MEN1KMT2AALDH1A1TSHRRAB9A
SCHEMBL9710721 0.74 ALDH1A1 (0.47) NPC1MEN1KMT2AALDH1A1TSHR
SCHEMBL8544448 0.74 KMT2A (0.46) NPC1KMT2AALDH1A1TSHRRAB9A
SCHEMBL9309848 0.74 ALOX5 (0.53) NPC1MEN1KMT2AALDH1A1TSHR

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