SCHEMBL7301973

SCHEMBL7301973

Cc1nnc(COc2ccc3c(-c4ccccc4)cc(=S)oc3c2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.51
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
ACHE P22303 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAOA P21397 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
TNF P01375 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL7292938 0.88 MAOB (0.67) MAOBALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL9136950 0.77 MAOB (0.42) MAOBALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL7302123 0.75 MAOB (0.77) MAOBACHEMAOA
SCHEMBL7296443 0.74 ALDH1A1 (0.64) MAOBALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL7304856 0.74 MAOB (0.48) MAOBALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL7293827 0.72 MAOB (0.65) MAOBALDH1A1HPGDUSP2ACHE
SCHEMBL7294868 0.71 MAOB (0.64) MAOBALDH1A1HPGDUSP2SMN1; SMN2
SCHEMBL7291407 0.71 MAOB (0.64) MAOBALDH1A1HPGDACHEMAOA
SCHEMBL7297386 0.70 AR (0.66) MAOB
SCHEMBL7300401 0.70 TDP1 (0.62) MAOBALDH1A1HPGDUSP2SMN1; SMN2

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
US-5414006-A Monoamine oxidase inhibitors BASF AKTIENGESELLSCHAFT (DE) 1995-05-09 US disclosed
EP-0594036-A1 Arylalkyloxythiocoumarines, process for their preparation and therapeutical agents containing them BASF Aktiengesellschaft (DE) 1994-04-27 EP disclosed