SCHEMBL8797602

SCHEMBL8797602

COc1ccc2c(c1)C(=O)N(CCOc1ccc(CC3NC(=O)SC3=O)cc1)CS2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.36
ROCK2 O75116 2/20 0.35
RYR2 Q92736 1/20 0.35
PPARG P37231 4/20 0.35
FFAR1 O14842 1/20 0.34
RAB9A P51151 1/20 0.34
CHRM5 P08912 1/20 0.34
MPC2 O95563 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2C9 P11712 1/20 0.34
ROCK1 Q13464 1/20 0.34
LMNA P02545 1/20 0.33
KCNH2 Q12809 1/20 0.33
MCHR1 Q99705 1/20 0.33
KDM4A O75164 1/20 0.32
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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) HRH3ROCK2PPARGFFAR1CHRM5
SCHEMBL8797614 0.89 MAOB (0.36) HRH3PPARGFFAR1KDM4AUSP2
SCHEMBL8797065 0.87 HRH3 (0.41) HRH3PPARGFFAR1RAB9A
SCHEMBL8798566 0.86 SNCA (0.35) HRH3LMNAPOLB
SCHEMBL8797598 0.83 PPARG (0.52) HRH3PPARGFFAR1MPC2CYP2C8
SCHEMBL8797333 0.83 HRH3 (0.45) HRH3PPARGFFAR1RAB9AKDM4A
SCHEMBL8797062 0.82 PPARG (0.36) HRH3ROCK2PPARGFFAR1RAB9A
SCHEMBL8797264 0.82 ROCK2 (0.38) HRH3ROCK2PPARGFFAR1ROCK1
SCHEMBL8797166 0.78 BCHE (0.38) HRH3
SCHEMBL8797027 0.76 HRH3 (0.36) HRH3PPARGFFAR1LMNAKDM4A

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