SCHEMBL7300401

SCHEMBL7300401

Cc1nnc(COc2ccc3c4c(c(=O)oc3c2)CCCC4)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.62
MAOB P27338 3/20 0.62
ALDH1A1 P00352 11/20 0.61
MAPT P10636 10/20 0.61
KDM4E B2RXH2 9/20 0.61
HPGD P15428 8/20 0.61
HSD17B10 Q99714 7/20 0.61
TSHR P16473 3/20 0.61
MAPK1 P28482 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MEN1 O00255 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
POLB P06746 3/20 0.56
APEX1 P27695 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GLA P06280 1/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
USP2 O75604 1/20 0.55

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
SCHEMBL7304856 0.88 MAOB (0.48) TDP1MAOBALDH1A1MAPTKDM4E
SCHEMBL7302123 0.84 MAOB (0.77) MAOB
SCHEMBL7296443 0.83 ALDH1A1 (0.64) TDP1MAOBALDH1A1MAPTKDM4E
SCHEMBL7293827 0.80 MAOB (0.65) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7291407 0.79 MAOB (0.64) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7294868 0.79 MAOB (0.64) MAOBALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7293972 0.78 MAOB (0.56) MAOBMAPTRAB9A
SCHEMBL7297386 0.76 AR (0.66) MAOB
SCHEMBL7438868 0.76 TDP1 (0.75) TDP1MAOBALDH1A1MAPTKDM4E
SCHEMBL7292938 0.75 MAOB (0.67) TDP1MAOBALDH1A1KDM4EHPGD

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