SCHEMBL7049258

SCHEMBL7049258

CCC1(C=O)Cc2cccc(OC)c2O1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 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
SCHEMBL5786283 0.78 NPC1 (0.44) NPC1KMT2ARAB9ALMNAALDH1A1
Bicarbonate SCHEMBL7360481 0.75 NPC1 (0.47) NPC1KMT2ARAB9ALMNAALDH1A1
SCHEMBL7846691 0.73 NPC1 (0.46) NPC1KMT2ARAB9ALMNAALDH1A1
SCHEMBL2378171 0.72 LMNA (0.60) NPC1KMT2ARAB9ALMNAALDH1A1
SCHEMBL5784672 0.70 PDE4A (0.40) NPC1KMT2ARAB9ALMNA
SCHEMBL10818853 0.70 KMT2A (0.37) NPC1KMT2ARAB9AALDH1A1
SCHEMBL10800882 0.65 KMT2A (0.40) NPC1KMT2ARAB9ALMNACHRM2
SCHEMBL10892120 0.65 LMNA (0.58) NPC1KMT2ARAB9ALMNAALDH1A1
SCHEMBL23304994 0.65 SIGMAR1 (0.39) NPC1KMT2ARAB9ALMNA
SCHEMBL9928158 0.64 HPGD (0.51) NPC1KMT2ARAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901482-B1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-05-02 EP disclosed
US-5925636-A Benzofuran carboxamides and their therapeutic use DARWIN DISCOVERY LIMITED (GB) 1999-07-20 US disclosed
EP-0901482-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-03-17 EP disclosed
EP-0873331-A1 BENZOFURAN CARBOXAMIDES AND SULPHONAMIDES Darwin Discovery Limited (GB) 1998-10-28 EP disclosed
US-5773467-A Benzofuran sulphonanmides CHIROSCIENCE, LTD. (GB) 1998-06-30 US disclosed
WO-1997044337-A1 BENZOFURAN CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1997-11-27 WO disclosed
WO-1997020833-A1 BENZOFURAN CARBOXAMIDES AND SULPHONAMIDES DARWIN DISCOVERY LIMITED (GB) 1997-06-12 WO disclosed