SCHEMBL7745982

SCHEMBL7745982

O=C1[CH]N(c2ccccc2)C(=S)N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK5 P34947 1/20 0.47
TYRO3 Q06418 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
GAA P10253 5/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.38
RECQL P46063 2/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CNR1 P21554 1/20 0.37
PTPN1 P18031 1/20 0.36
DDAH1 O94760 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL3809805 0.81 GAA (0.41) GRK5TYRO3DYRK1BGAAMAPT
SCHEMBL7746356 0.72 GAA (0.43) GRK5TYRO3DYRK1BGAAMAPT
Benzene SCHEMBL27623238 0.63 KDM4E (0.59) GRK5TYRO3DYRK1BGAAMAPT
SCHEMBL62942 0.63 KDM4E (0.59) GRK5TYRO3DYRK1BGAAMAPT
SCHEMBL123633 0.60 GRK5 (0.56) GRK5TYRO3DYRK1BGAAMAPT
SCHEMBL6275433 0.60 GRK5 (0.52) GRK5TYRO3DYRK1BGAAMAPT
SCHEMBL6032227 0.59 GAA (0.63) GRK5TYRO3DYRK1BGAAMAPT
SCHEMBL5964903 0.58 MGLL (0.37) GAAALDH1A1GSK3AGSK3BPTPN1
SCHEMBL8024211 0.58 GAA (0.42) GRK5TYRO3DYRK1BGAAALDH1A1
SCHEMBL27345565 0.58 MGLL (0.52) GAAALDH1A1GSK3AGSK3BMEN1

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
WO-2001027087-A2 PROCESS FOR MAKING BOC-PROTECTED 3-AMINOHYDANTOINS/THIOHYDANTOINS AND 3-AMINODIHYDROURACILS/DIHYDROTHIOURACILS THE PROCTER & GAMBLE COMPANY (US) 2001-04-19 WO disclosed