SCHEMBL9568762

SCHEMBL9568762

CC(=O)On1nnnc1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
PIN1 Q13526 1/20 0.44
XPO1 O14980 1/20 0.44
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
XDH P47989 1/20 0.42
PTGS2 P35354 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
SLC11A2 P49281 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
GABRA1 P14867 1/20 0.40
HPGD P15428 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
SCHEMBL9568787 0.81 HSD11B1 (0.46) POLBPIN1KMT2AHSD17B10ALDH1A1
SCHEMBL9469455 0.76 OGT (0.41) KDM4EHSD17B10ALDH1A1SMN1; SMN2SLC6A2
SCHEMBL8947234 0.75 POLB (0.60) POLBXPO1KMT2AALDH1A1SLC6A2
SCHEMBL9568794 0.74 ALDH1A1 (0.51) KDM4EHSD17B10ALDH1A1PTGS2CYP1A2
SCHEMBL8947354 0.73 POLB (0.65) POLBXPO1KMT2AKDM4EHSD17B10
SCHEMBL8791363 0.73 NQO2 (0.42) POLBKMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL9568756 0.70 POLB (0.57) POLBXPO1KMT2AKDM4EHSD17B10
SCHEMBL8790766 0.69 KMT2A (0.48) KMT2AKDM4EHSD17B10ALDH1A1SMN1; SMN2
SCHEMBL7114830 0.69 BRD4 (0.40) KMT2AKDM4EHSD17B10PTGS2MEN1
SCHEMBL9568778 0.69 SIGMAR1 (0.38)

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