SCHEMBL8043884

SCHEMBL8043884

COCc1nnc(Sc2nc(-c3ccccc3)cs2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR7 P34969 1/20 0.46
RAB9A P51151 6/20 0.46
NPC1 O15118 4/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.45
TSHR P16473 2/20 0.42
TP53 P04637 2/20 0.42
MCL1 Q07820 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TAAR1 Q96RJ0 1/20 0.39
POLB P06746 1/20 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
SCHEMBL8048093 0.88 RAB9A (0.43) RAB9ANPC1L3MBTL1TDP1SMN1; SMN2
SCHEMBL8033209 0.85 HTR1A (0.49) HTR1AHTR2AHTR7RAB9ANPC1
SCHEMBL8050659 0.83 RAB9A (0.48) HTR1AHTR2AHTR7RAB9ANPC1
SCHEMBL8044700 0.83 RAB9A (0.48) HTR1AHTR2AHTR7RAB9ANPC1
SCHEMBL8034303 0.82 RAB9A (0.46) HTR1AHTR2AHTR7RAB9ANPC1
SCHEMBL8048154 0.82 ALDH1A1 (0.48) HTR1AHTR2AHTR7RAB9ANPC1
SCHEMBL8046099 0.81 RAB9A (0.46) HTR1AHTR2AHTR7RAB9ANPC1
SCHEMBL8033029 0.81 ATM (0.49) HTR1AHTR2AHTR7RAB9ANPC1
SCHEMBL8048151 0.80 F2RL3 (0.37) RAB9AL3MBTL1ALDH1A1POLB
SCHEMBL8043462 0.80 RAB9A (0.47) HTR1AHTR2AHTR7RAB9ANPC1

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