SCHEMBL8049019

SCHEMBL8049019

O=C(O)c1ccc(-n2nnnc2Sc2nc(C(F)(F)F)c(C(=O)O)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
HPGD P15428 4/20 0.47
EP300 Q09472 1/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 3/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
PPARG P37231 1/20 0.43
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL8043982 0.91 ALDH1A1 (0.47) HPGDEP300ALDH1A1MAPK1KMT2A
SCHEMBL8048302 0.91 KMT2A (0.39) RECQLHPGDEP300ALDH1A1MAPK1
SCHEMBL8042019 0.89 ALDH1A1 (0.39) RECQLHPGDEP300ALDH1A1MAPK1
SCHEMBL8048227 0.89 SMN1; SMN2 (0.48) RECQLHPGDALDH1A1MAPK1KMT2A
SCHEMBL8046748 0.89 RECQL (0.39) RECQLHPGDEP300ALDH1A1MAPK1
SCHEMBL8045202 0.88 ALDH1A1 (0.39) RECQLHPGDEP300ALDH1A1MAPK1
SCHEMBL8051728 0.87 CA1 (0.44)
SCHEMBL8047493 0.87 CYP1A2 (0.40) HPGDEP300ALDH1A1MAPK1KMT2A
SCHEMBL8033914 0.84 POLB (0.43) HPGDALDH1A1MAPK1KMT2AMEN1
SCHEMBL8032703 0.84 KMT2A (0.44) HPGDALDH1A1MAPK1KMT2AMEN1

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