SCHEMBL8048751

SCHEMBL8048751

CC(C)(C)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
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
ALDH1A1 P00352 5/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 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
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.40
SREBF2 Q12772 1/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL8041954 0.86 RAB9A (0.43) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL8042571 0.86 RAB9A (0.48) RAB9AHTTHTR1AHTR2AHTR7
SCHEMBL8032700 0.81 HTR1A (0.49) RAB9AHTTHTR1AHTR2AHTR7
SCHEMBL8033022 0.80 ALDH1A1 (0.54) RAB9AHTTHTR1AHTR2AHTR7
SCHEMBL8050637 0.80 HDAC6 (0.49) RAB9AHTTHTR1AHTR2AHTR7
SCHEMBL8043997 0.79 MAPT (0.35) RAB9AALDH1A1NPC1SMN1; SMN2KDM4E
SCHEMBL8044277 0.78 RAB9A (0.46) RAB9AHTTHTR1AHTR2AHTR7
SCHEMBL8033209 0.78 HTR1A (0.49) RAB9AHTTHTR1AHTR2AHTR7
SCHEMBL8032615 0.76 SMN1; SMN2 (0.33) RAB9AHTTALDH1A1NPC1SMN1; SMN2
SCHEMBL8050659 0.76 RAB9A (0.48) RAB9AHTTHTR1AHTR2AHTR7

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