SCHEMBL7300226

SCHEMBL7300226

Cc1nnc(COc2cc3oc(=O)c(C)c(C)c3cc2Br)s1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.50
ALDH1A1 P00352 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A2 O94788 1/20 0.38
ALDH2 P05091 1/20 0.38
ALDH1B1 P30837 1/20 0.38
ALDH1A3 P47895 1/20 0.38
FHIT P49789 1/20 0.37
ACHE P22303 5/20 0.37
HSD17B3 P37058 1/20 0.36
MAOA P21397 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
SCHEMBL5617595 0.86 MAOB (0.50) MAOBALDH1A1PKMMAPK1HSD17B10
SCHEMBL7291668 0.86 ALDH1A1 (0.62) MAOBALDH1A1PKMMAPK1HSD17B10
SCHEMBL5618385 0.79 ALDH1A1 (0.54) MAOBALDH1A1PKMMAPK1HSD17B10
SCHEMBL7302123 0.78 MAOB (0.77) MAOBACHEMAOA
SCHEMBL7302247 0.76 MAOB (0.45) MAOBALDH1A1PKMMAPK1HSD17B10
SCHEMBL7293561 0.76 KDM4E (0.53) MAOBALDH1A1HSD17B10NPC1RAB9A
SCHEMBL7291407 0.71 MAOB (0.64) MAOBALDH1A1HSD17B10ACHEMAOA
SCHEMBL7303132 0.71 MAOB (0.43) MAOBALDH1A1PKMMAPK1HSD17B10
SCHEMBL7302034 0.71 MAOB (0.52) MAOBALDH1A1RAB9ASMN1; SMN2ALDH2
SCHEMBL7293827 0.70 MAOB (0.65) MAOBALDH1A1MAPK1HSD17B10ACHE

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-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