SCHEMBL8715876

SCHEMBL8715876

CC(C)(C)n1nnc(Sc2nc3c(Cl)cccc3s2)n1.CC(C)(C)n1nnc(Sc2nc3ccccc3s2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 3/20 0.39
FBP1 P09467 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
DRD2 P14416 1/20 0.38
ALOX15 P16050 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
MC5R P33032 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
OPRK1 P41145 1/20 0.38
CCR2 P41597 1/20 0.38
HTR6 P50406 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL8045061 0.94 F2RL3 (0.42) F2RL3ALDH1A1HPGDTDP1GAA
SCHEMBL8045654 0.89 ALDH1A1 (0.47) FBP1ALDH1A1HPGDHSD17B10TDP1
SCHEMBL8044113 0.79 F2RL3 (0.44) F2RL3ALDH1A1HPGDTDP1DRD2
SCHEMBL8711425 0.79 ELANE (0.41) F2RL3FBP1ALDH1A1HPGDHSD17B10
SCHEMBL8045244 0.79 F2RL3 (0.42) F2RL3ALDH1A1HPGDHSD17B10TDP1
SCHEMBL8711423 0.78 GAA (0.37) F2RL3FBP1ALDH1A1HPGDHSD17B10
SCHEMBL8033176 0.77 HSP90AA1 (0.44) F2RL3ALDH1A1HPGDTDP1GAA
SCHEMBL8032982 0.75 RAB9A (0.40) F2RL3ALDH1A1HPGDTDP1GAA
SCHEMBL8041887 0.75 HSP90AA1 (0.47) F2RL3ALDH1A1HPGDTDP1GAA
SCHEMBL8032825 0.74 HSP90AA1 (0.40) F2RL3ALDH1A1HPGDTDP1GAA

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-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed