SCHEMBL6966255

SCHEMBL6966255

O=C(C=S)Nc1[c]cccc1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.32
TAS2R38 P59533 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
TYR P14679 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTT P42858 1/20 0.31
CYP1A2 P05177 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
EGFR P00533 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30

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
SCHEMBL3204657 0.81 TGM2 (0.53) TGM2EGFR
SCHEMBL9725165 0.78 SMN1; SMN2 (0.44) ALDH1A1TP53TSHRHTTNPSR1
SCHEMBL27477112 0.77 TGM2 (0.49) TGM2EGFR
SCHEMBL11072074 0.76 SMN1; SMN2 (0.33) ALDH1A1TP53TSHRHSD17B10
SCHEMBL6033544 0.76 SMN1; SMN2 (0.38) ALDH1A1TP53TSHRHSD17B10HTT
SCHEMBL55828 0.75 GAA (0.42) TAS2R38ALDH1A1TP53TYRTSHR
SCHEMBL97108 0.75 HSD17B10 (0.48) ALDH1A1TSHRHSD17B10HTTCYP1A2
SCHEMBL6966249 0.75 TAS2R38 (0.48) TAS2R38ALDH1A1TP53TYRTSHR
SCHEMBL11465101 0.75 SMN1; SMN2 (0.32) TGM2TP53TSHRHSD17B10CYP1A2
SCHEMBL3760045 0.73 PTPN1 (0.46) TP53TSHR

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed