SCHEMBL7359062

SCHEMBL7359062

COc1c(C(=O)C=Cc2ccncc2)cc(Cl)c(N)c1OC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP1A1 P04798 8/20 0.49
CYP1A2 P05177 8/20 0.49
CYP1B1 Q16678 8/20 0.49
CYP2D6 P10635 7/20 0.49
CYP2C8 P10632 1/20 0.49
MCL1 Q07820 3/20 0.46
CYP3A4 P08684 2/20 0.46
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.42
TUBB1 Q9H4B7 2/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL7353076 0.81 GAA (0.52) KDM4EALDH1A1MAPTPKMKMT2A
SCHEMBL7353069 0.81 GAA (0.52) KDM4EALDH1A1MAPTPKMKMT2A
SCHEMBL30736440 0.76 CYP1A1 (0.73) CYP1A1CYP1A2CYP1B1CYP2D6CYP2C8
SCHEMBL31436391 0.76 CYP1A1 (0.73) CYP1A1CYP1A2CYP1B1CYP2D6CYP2C8
SCHEMBL7350267 0.75 MAPT (0.50) KDM4EALDH1A1MAPTPKMKMT2A
SCHEMBL7354408 0.75 MAPT (0.50) KDM4EALDH1A1MAPTPKMKMT2A
SCHEMBL11864000 0.71 ABCG2 (0.81) CYP1A1CYP1A2CYP1B1CYP2D6CYP2C8
SCHEMBL11864008 0.71 ABCG2 (0.81) CYP1A1CYP1A2CYP1B1CYP2D6CYP2C8
SCHEMBL7358999 0.71 KDM4E (0.44) KDM4EALDH1A1CYP3A4ACHE
SCHEMBL6775493 0.71 HSD17B10 (0.46) KDM4EALDH1A1MAPTKMT2ATDP1

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
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