SCHEMBL9702704

SCHEMBL9702704

CCC(C)(C)N(Sc1nc2ccccc2s1)Sc1nc2ccccc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.54
ALDH1A1 P00352 5/20 0.51
HSD17B10 Q99714 3/20 0.51
HPGD P15428 2/20 0.51
ADRA2A P08913 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
DRD2 P14416 1/20 0.51
ALOX15 P16050 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
DRD1 P21728 1/20 0.51
MC5R P33032 1/20 0.51
OPRM1 P35372 1/20 0.51
DRD3 P35462 1/20 0.51
OPRK1 P41145 1/20 0.51
CCR2 P41597 1/20 0.51
HTR6 P50406 1/20 0.51
SLC6A3 Q01959 1/20 0.51
PDK1 Q15118 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL1419356 0.87 FBP1 (0.52) FBP1ALDH1A1HSD17B10HPGDADRA2A
SCHEMBL1419361 0.86 FBP1 (0.51) FBP1ALDH1A1HSD17B10HPGDADRA2A
SCHEMBL9702325 0.85 FBP1 (0.48) FBP1ALDH1A1HSD17B10HPGDADRA2A
SCHEMBL30104099 0.84 ALDH1A1 (0.58) FBP1ALDH1A1HSD17B10HPGDADRA2A
SCHEMBL5075489 0.84 ALDH1A1 (0.58) FBP1ALDH1A1HSD17B10HPGDADRA2A
SCHEMBL1419086 0.83 FBP1 (0.49) FBP1ALDH1A1HSD17B10HPGDADRA2A
SCHEMBL1419324 0.83 FBP1 (0.49) FBP1ALDH1A1HSD17B10HPGDADRA2A
SCHEMBL1419664 0.82 FBP1 (0.48) FBP1ALDH1A1HSD17B10HPGDADRA2A
SCHEMBL1419128 0.81 ALDH1A1 (0.47) FBP1ALDH1A1HSD17B10HPGDADRA2A
SCHEMBL1419448 0.81 FBP1 (0.50) FBP1ALDH1A1HSD17B10HPGDADRA2A

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-1992005218-A1 METHOD OF MANUFACTURING A NITROSAMINE-FREE RUBBER ARTICLE UNIROYAL CHEMICAL COMPANY, INC. (US) 1992-04-02 WO disclosed