SCHEMBL7746356

SCHEMBL7746356

O=C1C[CH]N(c2ccccc2)C(=S)N1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.43
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
GRK5 P34947 1/20 0.43
TYRO3 Q06418 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
ALOX5 P09917 3/20 0.41
G6PD P11413 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
PTPN1 P18031 1/20 0.39
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL7745982 0.72 GRK5 (0.47) GAAKDM4EMAPTTDP1GRK5
SCHEMBL7741931 0.71 MEN1 (0.55) GAATDP1MEN1KMT2ADDB1
SCHEMBL62942 0.70 KDM4E (0.59) GAAKDM4EMAPTTDP1GRK5
Benzene SCHEMBL27623238 0.70 KDM4E (0.59) GAAKDM4EMAPTTDP1GRK5
SCHEMBL123633 0.68 GRK5 (0.56) GAAKDM4EMAPTTDP1GRK5
SCHEMBL14916963 0.66 ALOX5 (0.46) GAAKDM4EMAPTTDP1ALOX5
SCHEMBL4284163 0.62 ALOX5 (0.50) GAAKDM4EMAPTTDP1ALOX5
SCHEMBL3809805 0.60 GAA (0.41) GAAKDM4EMAPTTDP1GRK5
SCHEMBL9751665 0.60 MEN1 (0.40) GAAKDM4EMAPTTDP1GRK5
SCHEMBL10649531 0.60 EPHX2 (0.62) GAAMEN1KMT2ADDB1CRBN

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