SCHEMBL7353076

SCHEMBL7353076

COc1cc(N)c(Cl)cc1C(=O)C=Cc1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
ABCG2 Q9UNQ0 5/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A1 P04798 4/20 0.49
CYP1A2 P05177 4/20 0.49
CYP2D6 P10635 4/20 0.49
CYP1B1 Q16678 4/20 0.49
CYP2C8 P10632 1/20 0.49
CAPN1 P07384 1/20 0.48
PARP1 P09874 1/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
TNFRSF1A P19438 1/20 0.48
HTR4 Q13639 1/20 0.48
ACHE P22303 1/20 0.47

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
SCHEMBL7353069 1.00 GAA (0.52) GAAABCG2MAPTKMT2AKDM4E
SCHEMBL7359062 0.81 KDM4E (0.50) ABCG2MAPTKMT2AKDM4EALDH1A1
SCHEMBL6718802 0.80 ABCG2 (0.55) ABCG2MAPTKMT2ACYP1A1CYP1A2
SCHEMBL6718799 0.80 ABCG2 (0.55) ABCG2MAPTKMT2ACYP1A1CYP1A2
Dilmefone SCHEMBL2109149 0.77 ABCG2 (0.82) ABCG2MAPTKMT2ACYP1A1CYP1A2
SCHEMBL6936000 0.75 ABCG2 (0.80) ABCG2MAPTKMT2ACYP1A1CYP1A2
SCHEMBL6936004 0.75 ABCG2 (0.80) ABCG2MAPTKMT2ACYP1A1CYP1A2
SCHEMBL7351467 0.73 ACHE (0.65) GAAKMT2AHTR4ACHEMEN1
SCHEMBL28771454 0.73 MAPT (0.65) ABCG2MAPTKMT2ACYP1A1CYP1A2
SCHEMBL30736440 0.73 CYP1A1 (0.73) ABCG2CYP1A1CYP1A2CYP2D6CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027332-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-08-16 EP disclosed
WO-1999018074-A1 NOVEL LACTAM METALLOPROTEASE INHIBITORS Britol-Myers Squibb Pharma Company (US) 1999-04-15 WO disclosed
EP-0700383-B1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX INC (US) 1998-09-23 EP disclosed
US-5763458-A NERVOUS SYSTEM DISORDERS, ANXIETY, ANTIDEPRESSANTS AND COGNITION ACTIVATORS SYNTEX (U.S.A.) INC. (US) 1998-06-09 US disclosed
EP-0700383-A1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1996-03-13 EP disclosed
WO-1994027965-A1 NOVEL 1-PHENYLALKANONE 5-HT4 RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1994-12-08 WO disclosed