SCHEMBL8048302

SCHEMBL8048302

O=C(O)c1sc(Sc2nnnn2-c2ccc(Br)cc2)nc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.39
MEN1 O00255 6/20 0.39
ALDH1A1 P00352 6/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 1/20 0.38
RECQL P46063 1/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 4/20 0.36
EP300 Q09472 1/20 0.36
POLB P06746 3/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL8049019 0.91 RECQL (0.47) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8043982 0.90 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8046748 0.88 RECQL (0.39) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8048227 0.88 SMN1; SMN2 (0.48) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8042019 0.88 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8045202 0.87 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8051728 0.86 CA1 (0.44) CA1CA2CA4CA9
SCHEMBL8047493 0.86 CYP1A2 (0.40) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL8032375 0.84 ALDH1A1 (0.33) KMT2AALDH1A1MAPTLMNAMAPK1
SCHEMBL8033914 0.83 POLB (0.43) KMT2AMEN1ALDH1A1MAPTLMNA

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