SCHEMBL7303543

SCHEMBL7303543

Cc1c(Cl)c(=O)oc2cc(OCc3csc(C(C)C)n3)c(Br)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.40
MAOA P21397 2/20 0.40
F2RL3 Q96RI0 1/20 0.39
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 6/20 0.38
HPGD P15428 5/20 0.38
GAA P10253 4/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
HSD17B10 Q99714 3/20 0.37
MAPK1 P28482 2/20 0.37
PKM P14618 1/20 0.37
HSD17B3 P37058 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL5617970 0.90 ALDH1A1 (0.47) MAOBMAOAF2RL3ALDH1A1KDM4E
SCHEMBL7295957 0.79 MAOB (0.40) MAOBMAOAALDH1A1KDM4EHPGD
SCHEMBL5617690 0.74 MAOB (0.66) MAOBMAOA
SCHEMBL7301253 0.73 ALDH1A1 (0.46) MAOBMAOAF2RL3ALDH1A1KDM4E
SCHEMBL7303132 0.70 MAOB (0.43) MAOBALDH1A1HSD17B10MAPK1PKM
SCHEMBL7300226 0.66 MAOB (0.50) MAOBMAOAALDH1A1HSD17B10MAPK1
SCHEMBL5618385 0.65 ALDH1A1 (0.54) MAOBMAOAALDH1A1KDM4EHPGD
SCHEMBL7302695 0.65 MAOB (0.51) MAOBMAOAF2RL3KMT2AMEN1
SCHEMBL9587583 0.65 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDGAALMNA
SCHEMBL5617976 0.63 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0697867-B1 COMPOSITIONS IN THE FORM OF SOLID SOLUTIONS BASF AG (DE) 2001-12-05 EP disclosed
US-5684040-A COUMARIN DERIVATIVES, WATER SOLUBLE POLYMER BASF AKTIENGESELLSCHAFT (DE) 1997-11-04 US disclosed
EP-0697867-A1 COMPOSITIONS IN THE FORM OF SOLID SOLUTIONS BASF Aktiengesellschaft (DE) 1996-02-28 EP disclosed
WO-1994026267-A1 COMPOSITIONS IN THE FORM OF SOLID SOLUTIONS BASF AKTIENGESELLSCHAFT (DE) 1994-11-24 WO disclosed
EP-0363796-B1 HETEROCYCLICALLY SUBSTITUTED ALKOXYCOUMARINES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL AGENTS CONTAINING SAME BASF Aktiengesellschaft (DE) 1993-08-11 EP disclosed
US-5227392-A Monoamine oxidase inhibitors BASF AKTIENGESELLSCHAFT (DE) 1993-07-13 US disclosed
US-5073563-A Enzyme inhibitors, CNS BASF AKTIENGESELLSCHAFT (DE) 1991-12-17 US disclosed
EP-0363796-A1 Heterocyclically substituted alkoxycoumarines, method for their preparation and therapeutical agents containing same BASF Aktiengesellschaft (DE) 1990-04-18 EP disclosed