SCHEMBL28815537

SCHEMBL28815537

Clc1c2c(nc3ccccc13)-c1ccccc1OC2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 4/20 0.56
ESRRA P11474 4/20 0.56
THRB P10828 2/20 0.52
BCHE P06276 4/20 0.48
ACHE P22303 2/20 0.48
MAPT P10636 3/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALPL P05186 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL9583451 0.85 ACHE (0.62) THRBBCHEACHEKDM4EALDH1A1
SCHEMBL4816606 0.77 THRB (0.47) ESRRBESRRATHRBBCHEACHE
SCHEMBL29283436 0.73 BCHE (0.45) BCHEACHEMAPTMAOAMAOB
SCHEMBL3921667 0.72 ESRRB (1.00) ESRRBESRRAACHE
SCHEMBL4814353 0.70 THRB (0.46) THRBACHEMAPTKDM4EALDH1A1
SCHEMBL3930584 0.70 ESRRB (0.65) ESRRBESRRAACHEMAPTKDM4E
SCHEMBL11530213 0.69 MAOA (0.46) BCHEACHEMAOAMAOBALDH1A1
SCHEMBL4445353 0.68 KDM4E (0.61) THRBMAPTKDM4EALDH1A1HSD17B10
SCHEMBL29615690 0.68 KDM4E (0.61) THRBMAPTKDM4EALDH1A1HSD17B10
SCHEMBL12043418 0.65 ACHE (1.00) BCHEACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104327088-A Preparation method of 7-chloro-6H-benzopyran[4,3-b]quinoline and derivative thereof UNIV DALIAN TECH 2015-02-04 CN disclosed
CN-104327088-A Preparation method of 7-chloro-6H-benzopyran[4,3-b]quinoline and derivative thereof UNIV DALIAN TECH 2015-02-04 CN disclosed