SCHEMBL8052176

SCHEMBL8052176

CCc1ccccc1-n1nnnc1Sc1ncc(C(=O)O)s1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.44
ALDH1A1 P00352 12/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
TP53 P04637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 2/20 0.38
MEN1 O00255 3/20 0.37
ABCB1 P08183 1/20 0.37
PPARG P37231 1/20 0.37
POLB P06746 2/20 0.37
GAA P10253 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
SCHEMBL8044465 0.84 ALDH1A1 (0.51) MAPK1ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL8045968 0.84 ALDH1A1 (0.50) MAPK1ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL8033678 0.83 ALDH1A1 (0.43) MAPK1ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL8050797 0.82 MAPK1 (0.40) MAPK1ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL8044870 0.80 ALDH1A1 (0.41) MAPK1ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL8051093 0.80 MAPK8 (0.46) MAPK1ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL8046221 0.79 ALDH1A1 (0.51) MAPK1ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL8046087 0.78 ALDH1A1 (0.41) MAPK1ALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL8042980 0.78 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL8042066 0.78 RXRA (0.39) MAPK1ALDH1A1KMT2AMAPTSMN1; 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