SCHEMBL8044613

SCHEMBL8044613

CCc1ccccc1-n1nnc(Sc2nc(CC(=O)O)cs2)n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 3/20 0.36
HSD17B10 Q99714 2/20 0.36
GABRA5 P31644 1/20 0.36
GABRB2 P47870 1/20 0.36
SCD O00767 6/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FABP4 P15090 1/20 0.34

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
SCHEMBL8048790 0.82 RAB9A (0.44) ALDH1A1LMNAGAAHSD17B10MAPT
SCHEMBL8042054 0.82 ALDH1A1 (0.43) ALDH1A1LMNAGAAHSD17B10MAPT
SCHEMBL8048752 0.79 HSD17B10 (0.42) ALDH1A1LMNAGAAHSD17B10GABRA5
SCHEMBL8048131 0.79 MAPK1 (0.43) ALDH1A1LMNAHSD17B10MAPTHPGD
SCHEMBL8033980 0.78 HSD17B10 (0.43) ALDH1A1LMNAGAAHSD17B10GABRA5
SCHEMBL8044346 0.77 LMNA (0.41) ALDH1A1LMNAGAAHSD17B10GABRA5
SCHEMBL8046631 0.77 IDH1 (0.42) ALDH1A1LMNAGAAHSD17B10MAPT
SCHEMBL8050333 0.77 GABRA5 (0.40) ALDH1A1LMNAGAAHSD17B10GABRA5
SCHEMBL8044611 0.75 LMNA (0.39) ALDH1A1LMNAGAAHSD17B10GABRA5
SCHEMBL8042264 0.75 ALDH1A1 (0.41) ALDH1A1LMNAGAAHSD17B10GABRA5

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