SCHEMBL8034063

SCHEMBL8034063

Cc1ccc(-n2nnnc2Sc2nccs2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
TP53 P04637 5/20 0.36
HSD17B10 Q99714 5/20 0.36
LMNA P02545 5/20 0.36
HTT P42858 5/20 0.36
MAPK1 P28482 4/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
FBP1 P09467 4/20 0.35
JAK2 O60674 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TSHR P16473 4/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
PKM P14618 1/20 0.34
PDK1 Q15118 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GAA P10253 1/20 0.31
HKDC1 Q2TB90 1/20 0.31

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
SCHEMBL8048217 0.85 FBP1 (0.35) ALDH1A1TP53HSD17B10LMNAHTT
SCHEMBL8045496 0.81 ALDH1A1 (0.33) ALDH1A1TP53HSD17B10LMNAHTT
SCHEMBL8042326 0.81 ALDH1A1 (0.37) ALDH1A1TP53HSD17B10LMNAHTT
SCHEMBL8043807 0.80 HSD17B10 (0.36) ALDH1A1TP53HSD17B10LMNAHTT
SCHEMBL8042606 0.80 ALDH1A1 (0.37) ALDH1A1TP53HSD17B10LMNAHTT
SCHEMBL8032847 0.79 ALDH1A1 (0.36) ALDH1A1TP53HSD17B10LMNAHTT
SCHEMBL8045872 0.76 FBP1 (0.40) ALDH1A1TP53HSD17B10LMNAHTT
SCHEMBL8045769 0.76 ALDH1A1 (0.36) ALDH1A1TP53HSD17B10LMNAHTT
SCHEMBL8032540 0.76 ALDH1A1 (0.53) ALDH1A1TP53HSD17B10LMNAHTT
SCHEMBL8047340 0.75 ALDH1A1 (0.40) ALDH1A1TP53HSD17B10LMNAHTT

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