SCHEMBL8042528

SCHEMBL8042528

CSc1ccc(-n2nnnc2Sc2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.45
LMNA P02545 7/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
HTT P42858 5/20 0.45
TP53 P04637 2/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
UBE2M P61081 2/20 0.43
DCUN1D1 Q96GG9 2/20 0.43
TSHR P16473 6/20 0.43
TDP1 Q9NUW8 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL8044812 0.89 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8044092 0.89 KMT2A (0.45) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8046294 0.86 UBE2M (0.45) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8034319 0.85 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8044654 0.85 MAPT (0.44) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8042159 0.84 RAB9A (0.47) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8045514 0.83 HPGD (0.54) ALDH1A1LMNASMN1; SMN2HTTMAPK1
SCHEMBL8050838 0.83 KDM4E (0.36) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8042731 0.82 ALDH1A1 (0.41) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8041897 0.81 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2HTTTP53

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