SCHEMBL8042571

SCHEMBL8042571

FC(F)(F)c1nnc(Sc2nc(-c3ccccc3)cs2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 5/20 0.43
NPC1 O15118 4/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
LMNA P02545 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
C1S P09871 1/20 0.42
CYP3A4 P08684 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
AR P10275 1/20 0.38

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
SCHEMBL8051857 0.86 ALOX5 (0.44) RAB9AALDH1A1KMT2ANPC1MEN1
SCHEMBL8048751 0.86 RAB9A (0.48) RAB9AHTTALDH1A1KMT2ANPC1
SCHEMBL8051771 0.82 ALOX5 (0.36) RAB9AHTTALDH1A1KMT2AMEN1
SCHEMBL8050637 0.80 HDAC6 (0.49) RAB9AHTTALDH1A1KMT2ANPC1
SCHEMBL8033022 0.80 ALDH1A1 (0.54) RAB9AHTTALDH1A1KMT2ANPC1
SCHEMBL8032700 0.78 HTR1A (0.49) RAB9AHTTALDH1A1KMT2ANPC1
SCHEMBL8052850 0.77 KMT2A (0.43) RAB9AHTTALDH1A1KMT2AMEN1
SCHEMBL15647520 0.75 ALDH1A1 (0.55) RAB9AALDH1A1KMT2ANPC1MEN1
SCHEMBL8044277 0.75 RAB9A (0.46) RAB9AHTTALDH1A1KMT2ANPC1
SCHEMBL8044700 0.75 RAB9A (0.48) RAB9AHTTALDH1A1KMT2ANPC1

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