SCHEMBL8044654

SCHEMBL8044654

CN(C)c1ccc(-n2nnnc2Sc2nc(-c3ccccc3)cs2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 10/20 0.44
LMNA P02545 8/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
HTT P42858 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 2/20 0.44
HSD17B10 Q99714 1/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
UBE2M P61081 2/20 0.43
DCUN1D1 Q96GG9 2/20 0.43
TSHR P16473 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 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
SCHEMBL8048028 0.89 KMT2A (0.44) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL8044812 0.88 ALDH1A1 (0.52) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL8042528 0.85 ALDH1A1 (0.45) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL8046294 0.85 UBE2M (0.45) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL8034319 0.84 ALDH1A1 (0.51) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL8043941 0.83 PTGS2 (0.37) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL8042159 0.83 RAB9A (0.47) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL8042535 0.82 PTGS2 (0.44) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL8045514 0.82 HPGD (0.54) MAPTPOLBALDH1A1LMNASMN1; SMN2
SCHEMBL8041897 0.81 ALDH1A1 (0.47) MAPTPOLBALDH1A1LMNASMN1; SMN2

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