SCHEMBL8047340

SCHEMBL8047340

Cc1ccc(-n2nnnc2Sc2nc(-c3ccccc3)cs2)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
LMNA P02545 7/20 0.40
HTT P42858 6/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
HSD17B10 Q99714 5/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 3/20 0.40
MAPK1 P28482 3/20 0.40
KMT2A Q03164 2/20 0.40
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
TSHR P16473 6/20 0.39
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 5/20 0.38
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL8710052 0.94 LMNA (0.41) ALDH1A1LMNAHTTSMN1; SMN2HSD17B10
SCHEMBL8043194 0.89 KMT2A (0.43) ALDH1A1LMNAHTTSMN1; SMN2HSD17B10
SCHEMBL8050384 0.86 HTT (0.38) ALDH1A1LMNAHTTSMN1; SMN2HSD17B10
SCHEMBL8044629 0.84 ALDH1A1 (0.39) ALDH1A1LMNAHTTSMN1; SMN2HSD17B10
SCHEMBL8042326 0.83 ALDH1A1 (0.37) ALDH1A1LMNAHTTSMN1; SMN2HSD17B10
SCHEMBL8043331 0.83 MAPT (0.34) ALDH1A1LMNAHTTSMN1; SMN2HSD17B10
SCHEMBL8044696 0.82 HTT (0.40) ALDH1A1LMNAHTTSMN1; SMN2HSD17B10
SCHEMBL8049863 0.82 MAPT (0.43) ALDH1A1LMNAHTTSMN1; SMN2HSD17B10
SCHEMBL8044812 0.82 ALDH1A1 (0.52) ALDH1A1LMNAHTTSMN1; SMN2HSD17B10
SCHEMBL8044135 0.79 ALDH1A1 (0.49) ALDH1A1LMNAHTTSMN1; SMN2HSD17B10

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