SCHEMBL7703200

SCHEMBL7703200

CCOC(=O)CNC(=S)c1ccccc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.50
LMNA P02545 2/20 0.49
ALDH1A1 P00352 9/20 0.48
KDM4E B2RXH2 1/20 0.48
SCN1A P35498 2/20 0.44
SCN2A Q99250 2/20 0.44
SCN3A Q9NY46 2/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
ALOX12 P18054 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN1 P18031 1/20 0.41

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
SCHEMBL7697059 0.86 CHRNB2 (0.56) PPIDLMNAALDH1A1KDM4ECHRNB2
SCHEMBL7696324 0.81 CHRNB2 (0.51) LMNAALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL4509905 0.80 PPID (0.57) PPIDLMNAALDH1A1KDM4ESMN1; SMN2
SCHEMBL28261473 0.79 LMNA (0.58) LMNAALDH1A1KDM4ESCN1ASCN2A
SCHEMBL27375291 0.76 CHRNB2 (0.54) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL396552 0.75 TSHR (0.69) LMNAALDH1A1KDM4ESCN1ASCN2A
SCHEMBL2107033 0.74 ALDH1A1 (0.54) PPIDALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL28547271 0.74 SCN1A (0.58) LMNAALDH1A1KDM4ESCN1ASCN2A
Bicarbonate SCHEMBL27449726 0.73 TSHR (0.67) LMNAALDH1A1KDM4ESCN1ASCN2A
SCHEMBL1222232 0.73 ALDH1A1 (0.58) PPIDLMNAALDH1A1KDM4ESMN1; SMN2

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-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed