SCHEMBL9750458

SCHEMBL9750458

O=C(O)CNC(=O)C1C(=S)C=Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.39
LMNA P02545 1/20 0.37
POLB P06746 2/20 0.36
P2RY2 P41231 3/20 0.33
BBOX1 O75936 1/20 0.33
ASPH Q12797 1/20 0.33
KDM8 Q8N371 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
HIF1AN Q9NWT6 1/20 0.33
HTR2A P28223 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA5 P08648 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL3073163 0.78 KDM4E (0.38) POLBP2RY2HTR2AKDM4EALDH1A1
SCHEMBL11184478 0.75 KDM4E (0.38) LMNAPOLBP2RY2HTR2AKDM4E
SCHEMBL11194965 0.75 KDM4E (0.38) LMNAPOLBP2RY2HTR2AKDM4E
SCHEMBL11710445 0.73 ATM (0.44) LMNAPOLBP2RY2HTR2AKDM4E
SCHEMBL7658701 0.73 KDM4E (0.38) LMNAPOLBP2RY2HTR2AKDM4E
SCHEMBL9398200 0.73 HDAC3 (0.59) LMNAPOLB
SCHEMBL3056750 0.71 ALDH1A1 (0.39) POLBP2RY2KDM4EALDH1A1
SCHEMBL9090427 0.70 HTR2A (0.40) ABATLMNAHTR2AKDM4EMAPT
SCHEMBL27570925 0.69 ABAT (0.34) ABATHTR2AITGB3ITGB1ITGAV
SCHEMBL8797292 0.69 HTR2A (0.43) LMNAPOLBHTR2AKDM4EALDH1A1

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-0212569-B1 THIATION PROCESS ETHYL CORPORATION (US) 1991-05-22 EP disclosed