SCHEMBL10371007

SCHEMBL10371007

COc1ccc2oc(C(=O)Nc3nnn[nH]3)c(OC(C)C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
KDM4E B2RXH2 5/20 0.46
KMT2A Q03164 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
MEN1 O00255 1/20 0.46
ATM Q13315 1/20 0.46
MPO P05164 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAOA P21397 1/20 0.41
ICAM1 P05362 1/20 0.41
SELE P16581 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
SCHEMBL10336010 0.92 MPO (0.42) NPC1RAB9AKDM4EKMT2ARXFP1
SCHEMBL10372642 0.91 NPC1 (0.50) NPC1RAB9AKDM4EKMT2ARXFP1
SCHEMBL10370927 0.85 MAPT (0.36) NPC1RAB9AKDM4EKMT2ATP53
SCHEMBL10371009 0.84 MPO (0.41) NPC1RAB9AKDM4EKMT2ARXFP1
SCHEMBL10336012 0.83 MPO (0.41) NPC1RAB9AKDM4EKMT2ARXFP1
SCHEMBL10370990 0.83 KDM4E (0.44) NPC1RAB9AKDM4EKMT2ARXFP1
SCHEMBL10371048 0.82 NPC1 (0.48) NPC1RAB9AKDM4EKMT2ARXFP1
SCHEMBL9501851 0.80 MPO (0.48) NPC1RAB9AKDM4EKMT2ARXFP1
SCHEMBL9826156 0.79 NPC1 (0.35) NPC1RAB9AMPOCYSLTR1TP53
SCHEMBL6440669 0.79 MPO (0.69) NPC1RAB9AKDM4ERXFP1MPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0187487-B1 BENZOTHIOPHENES AND BENZOFURANS HAVING ANTIALLERGIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1990-08-29 EP claimed
EP-0187487-A1 Benzothiophenes and benzofurans having antiallergic activity WARNER-LAMBERT COMPANY (US) 1986-07-16 EP claimed
EP-0187487-B1 BENZOTHIOPHENES AND BENZOFURANS HAVING ANTIALLERGIC ACTIVITY WARNER-LAMBERT COMPANY (US) 1990-08-29 EP disclosed
US-4703053-A Benzothiophenes and benzofurans and antiallergic use thereof WARNER-LAMBERT COMPANY (US) 1987-10-27 US disclosed
EP-0187487-A1 Benzothiophenes and benzofurans having antiallergic activity WARNER-LAMBERT COMPANY (US) 1986-07-16 EP disclosed