SCHEMBL11748869

SCHEMBL11748869

COc1ccc2c(=O)c(C(N)=O)c(N)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.61
CA2 P00918 6/20 0.61
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MAOA P21397 2/20 0.54
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 6/20 0.53
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
KMT2A Q03164 1/20 0.51
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50

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
SCHEMBL11744050 0.89 SMN1; SMN2 (0.64) CA1CA2NPC1RAB9AMAOA
SCHEMBL4958360 0.78 KDM4E (0.62) NPC1RAB9AKDM4EALDH1A1POLB
SCHEMBL4953370 0.78 KDM4E (0.58) CA1CA2NPC1RAB9AKDM4E
SCHEMBL3661536 0.77 NPC1 (0.83) CA1CA2NPC1RAB9AMAOA
SCHEMBL5111031 0.76 ALDH1A1 (0.58) CA1CA2NPC1RAB9AMAOA
SCHEMBL13699674 0.75 KDM4E (0.59) CA1CA2NPC1RAB9AKDM4E
SCHEMBL8827792 0.75 KDM4E (0.78) CA1CA2NPC1RAB9AKDM4E
SCHEMBL11750821 0.75 CA1 (0.61) CA1CA2NPC1RAB9AMAOA
SCHEMBL17037021 0.75 NPC1 (0.69) CA1CA2NPC1RAB9AMAOA
SCHEMBL11568180 0.75 MAPK1 (0.57) CA1CA2NPC1RAB9AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3932466-A Substituted 2-amino chromones and process for the preparation thereof WARNER-LAMBERT COMPANY (US) 1976-01-13 US claimed
US-4024160-A Substituted 2-amino chromones and process for the preparation thereof WARNER-LAMBERT COMPANY (US) 1977-05-17 US disclosed
US-3932466-A Substituted 2-amino chromones and process for the preparation thereof WARNER-LAMBERT COMPANY (US) 1976-01-13 US disclosed