SCHEMBL8048729

SCHEMBL8048729

CCc1ccccc1-n1nnc(Sc2nc3ccccc3s2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.47
FBP1 P09467 2/20 0.45
ALDH1A1 P00352 5/20 0.43
LMNA P02545 5/20 0.43
CYP1A2 P05177 4/20 0.43
HSD17B10 Q99714 4/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.43
HIF1A Q16665 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 5/20 0.42
HPGD P15428 4/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
DRD2 P14416 1/20 0.42
ALOX15 P16050 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42

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
SCHEMBL8711425 0.90 ELANE (0.41) ELANEFBP1ALDH1A1LMNACYP1A2
SCHEMBL8045225 0.86 KMT2A (0.46) ELANEALDH1A1LMNAHSD17B10MAPT
SCHEMBL8046514 0.86 LMNA (0.44) ELANEALDH1A1LMNAL3MBTL1MAPT
SCHEMBL8043966 0.85 MAPT (0.52) ELANEALDH1A1LMNACYP1A2CYP3A4
SCHEMBL8032825 0.85 HSP90AA1 (0.40) ELANEALDH1A1LMNAMAPK1MAPT
SCHEMBL8050908 0.82 ELANE (0.31) ELANE
SCHEMBL8042054 0.80 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10MAPK1MAPT
SCHEMBL8041981 0.79 FBP1 (0.50) FBP1ALDH1A1LMNACYP1A2HSD17B10
SCHEMBL8048790 0.78 RAB9A (0.44) ALDH1A1LMNACYP1A2HSD17B10CYP2C19
SCHEMBL8052302 0.78 ALDH1A1 (0.51) ELANEFBP1ALDH1A1LMNACYP1A2

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