SCHEMBL8046503

SCHEMBL8046503

CCc1nnc(Sc2nc3ccccc3s2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.55
MAPT P10636 3/20 0.55
TSHR P16473 2/20 0.55
USP2 O75604 1/20 0.55
FBP1 P09467 2/20 0.54
ALDH1A1 P00352 8/20 0.51
HPGD P15428 3/20 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

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
SCHEMBL8048253 0.89 ALDH1A1 (0.52) HSD17B10MAPTTSHRUSP2FBP1
SCHEMBL8043241 0.87 FBP1 (0.50) HSD17B10MAPTTSHRUSP2FBP1
SCHEMBL8044035 0.85 HSD17B10 (0.51) HSD17B10MAPTTSHRUSP2FBP1
SCHEMBL8049883 0.85 CYP1A2 (0.48) HSD17B10MAPTTSHRUSP2FBP1
SCHEMBL8044052 0.83 MAPK1 (0.49) HSD17B10MAPTTSHRUSP2FBP1
SCHEMBL8042757 0.83 CYP1A2 (0.53) HSD17B10MAPTTSHRFBP1ALDH1A1
SCHEMBL8033602 0.82 CYP1A2 (0.48) HSD17B10MAPTTSHRFBP1ALDH1A1
SCHEMBL8044486 0.81 SMN1; SMN2 (0.54) HSD17B10MAPTTSHRUSP2FBP1
SCHEMBL381557 0.80 ALDH1A1 (0.76) HSD17B10MAPTTSHRUSP2FBP1
SCHEMBL30005981 0.80 ALDH1A1 (0.76) HSD17B10MAPTTSHRUSP2FBP1

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
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed