SCHEMBL8044277

SCHEMBL8044277

CC(C)c1nnc(Sc2nc(-c3ccccc3)cs2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
HTT P42858 1/20 0.45
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CYP3A4 P08684 1/20 0.40
SREBF2 Q12772 1/20 0.39
HPGD P15428 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
SCHEMBL8032730 0.86 RAB9A (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL8032700 0.81 HTR1A (0.49) RAB9ANPC1SMN1; SMN2HTR1AHTR2A
SCHEMBL8050637 0.80 HDAC6 (0.49) RAB9ANPC1SMN1; SMN2HTR1AHTR2A
SCHEMBL8033022 0.80 ALDH1A1 (0.54) RAB9ANPC1SMN1; SMN2HTR1AHTR2A
SCHEMBL8044824 0.78 MAPT (0.34) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL8033209 0.78 HTR1A (0.49) RAB9ANPC1SMN1; SMN2HTR1AHTR2A
SCHEMBL8048751 0.78 RAB9A (0.48) RAB9ANPC1SMN1; SMN2HTR1AHTR2A
SCHEMBL8033855 0.76 SMN1; SMN2 (0.33) RAB9ANPC1SMN1; SMN2HTTALDH1A1
SCHEMBL8050659 0.76 RAB9A (0.48) RAB9ANPC1SMN1; SMN2HTR1AHTR2A
SCHEMBL2754043 0.75 ALDH1A1 (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1KMT2A

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