SCHEMBL9568778

SCHEMBL9568778

CC(=O)On1nnnc1-c1ccc2ccsc2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
CA12 O43570 3/20 0.32
CA2 P00918 3/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
MGLL Q99685 1/20 0.32
TACR3 P29371 1/20 0.32
FFAR1 O14842 1/20 0.31
PPARD Q03181 1/20 0.31
BRD4 O60885 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
CHRNA7 P36544 2/20 0.30
HTR3A P46098 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
SCHEMBL9469455 0.81 OGT (0.41) MGLL
SCHEMBL8791633 0.75 CYP2A6 (0.38)
SCHEMBL9688521 0.75 SIGMAR1 (0.38) SIGMAR1TACR3BRD4CHRNA7HTR3A
SCHEMBL9568787 0.74 HSD11B1 (0.46) MGLL
SCHEMBL9568773 0.74 ALDH1A1 (0.56) SIGMAR1FFAR1PPARDMRGPRX4
SCHEMBL8790825 0.74 PLA2G10 (0.35) MGLL
SCHEMBL8790385 0.74 MAPK8 (0.31) MGLL
SCHEMBL7114830 0.74 BRD4 (0.40) MGLLBRD4
SCHEMBL9568794 0.73 ALDH1A1 (0.51) MGLL
SCHEMBL8790885 0.73 ALDH1A1 (0.32)

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-5262433-A Antidiabetic agents WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1993-11-16 US disclosed
EP-0528277-A1 Tetrazoleacetic acid derivatives aldose reductase inhibitors Wakamoto Pharmaceutical Co., Ltd. (JP) 1993-02-24 EP disclosed