SCHEMBL8797614

SCHEMBL8797614

N#Cc1ccc2c(c1)C(=O)N(CCOc1ccc(CC3NC(=O)SC3=O)cc1)CS2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
HRH3 Q9Y5N1 7/20 0.34
ALK Q9UM73 1/20 0.33
FFAR1 O14842 4/20 0.32
PPARG P37231 3/20 0.32
KMT2A Q03164 1/20 0.31
PPARA Q07869 1/20 0.30
HRH2 P25021 1/20 0.30
HRH1 P35367 1/20 0.30
KDM4A O75164 1/20 0.30
USP2 O75604 1/20 0.30
POLB P06746 1/20 0.30
ALOX15 P16050 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PLA2G7 Q13093 1/20 0.30

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
SCHEMBL8797412 0.89 FFAR1 (0.39) MAOBMAOAHRH3FFAR1PPARG
SCHEMBL8797602 0.89 HRH3 (0.36) HRH3FFAR1PPARGKDM4AUSP2
SCHEMBL8797065 0.86 HRH3 (0.41) MAOBMAOAHRH3FFAR1PPARG
SCHEMBL8798566 0.85 SNCA (0.35) HRH3KMT2APOLB
SCHEMBL8797609 0.84 HRH3 (0.51) HRH3FFAR1PPARGKMT2APPARA
SCHEMBL8797429 0.83 MAOB (0.35) MAOBMAOAHRH3ALKFFAR1
SCHEMBL8797333 0.82 HRH3 (0.45) HRH3FFAR1PPARGKMT2AKDM4A
SCHEMBL8797974 0.79 HRH3 (0.37) MAOBHRH3HRH2HRH1
SCHEMBL8797027 0.73 HRH3 (0.36) MAOBHRH3FFAR1PPARGKMT2A
SCHEMBL8797111 0.73 HRH3 (0.35) HRH3FFAR1PPARGKDM4AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787727-A1 Benzoazine derivative or salt thereof and pharmaceutical composition comprising the same SS Pharmaceutical Co., Ltd. (JP) 1997-08-06 EP disclosed