SCHEMBL7301253

SCHEMBL7301253

Cc1c(Cl)c(=O)oc2cc(OCc3csc(C4CC4)n3)c(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
EPHA2 P29317 4/20 0.40
KDR P35968 3/20 0.40
EPHB4 P54760 3/20 0.40
F2RL3 Q96RI0 8/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ERBB2 P04626 3/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
F2 P00734 1/20 0.37
HSD17B3 P37058 1/20 0.37

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 0.82 ALDH1A1 (0.47) ALDH1A1PKMMAPK1HSD17B10F2RL3
SCHEMBL5618346 0.76 MAOB (0.53) MAOAMAOB
SCHEMBL5618385 0.73 ALDH1A1 (0.54) ALDH1A1PKMMAPK1HSD17B10KDM4E
SCHEMBL7303543 0.73 MAOB (0.40) ALDH1A1PKMMAPK1HSD17B10F2RL3
SCHEMBL5617722 0.68 ALDH1A1 (0.58) ALDH1A1PKMMAPK1HSD17B10KDM4E
SCHEMBL7311265 0.67 ALDH1A1 (0.42) ALDH1A1PKMMAPK1HSD17B10KDM4E
SCHEMBL7291668 0.66 ALDH1A1 (0.62) ALDH1A1PKMMAPK1HSD17B10KDM4E
SCHEMBL9808366 0.66 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EGAAHPGD
SCHEMBL5617665 0.62 ALDH1A1 (0.56) ALDH1A1PKMMAPK1HSD17B10MAOA
SCHEMBL7295957 0.61 MAOB (0.40) ALDH1A1PKMMAPK1HSD17B10KDM4E

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-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-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