SCHEMBL8046099

SCHEMBL8046099

OCCc1nnc(Sc2nc(-c3ccccc3)cs2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.46
HTT P42858 1/20 0.46
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
NPC1 O15118 5/20 0.43
TDP1 Q9NUW8 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 7/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 2/20 0.41
CD74 P04233 1/20 0.40
MIF P14174 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 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
SCHEMBL8044700 0.89 RAB9A (0.48) RAB9AHTTHTR1AHTR2AHTR7
SCHEMBL8048496 0.87 MEN1 (0.43) RAB9ANPC1TDP1SMN1; SMN2ALDH1A1
SCHEMBL8033029 0.87 ATM (0.49) RAB9AHTTHTR1AHTR2AHTR7
SCHEMBL8050659 0.87 RAB9A (0.48) RAB9AHTTHTR1AHTR2AHTR7
SCHEMBL8051288 0.86 RAB9A (0.46) RAB9AHTTHTR1AHTR2AHTR7
SCHEMBL8034303 0.86 RAB9A (0.46) RAB9AHTTHTR1AHTR2AHTR7
SCHEMBL8033209 0.84 HTR1A (0.49) RAB9AHTTHTR1AHTR2AHTR7
SCHEMBL8043462 0.83 RAB9A (0.47) RAB9AHTTHTR1AHTR2AHTR7
SCHEMBL8048154 0.83 ALDH1A1 (0.48) RAB9AHTTHTR1AHTR2AHTR7
SCHEMBL8043684 0.81 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 1 patent. 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