SCHEMBL8046620

SCHEMBL8046620

CC(C)n1nnc(Sc2nc(-c3ccccc3)cs2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.44
NPC1 O15118 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTR1A P08908 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.41
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 1/20 0.39
AR P10275 4/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NFKB1 P19838 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
SCHEMBL8050205 0.87 RAB9A (0.43) RAB9ANPC1SMN1; SMN2HTTMAPT
SCHEMBL8051868 0.84 HTR1A (0.52) RAB9ANPC1SMN1; SMN2HTR1AHTR2A
SCHEMBL8042378 0.82 HTR1A (0.47) RAB9ANPC1SMN1; SMN2HTR1AHTR2A
SCHEMBL8043826 0.82 HTR1A (0.44) RAB9ANPC1SMN1; SMN2HTR1AHTR2A
SCHEMBL8045305 0.79 F2RL3 (0.35) MAPTAR
SCHEMBL8042936 0.79 RAB9A (0.32) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL8034092 0.78 HTR1A (0.49) RAB9ANPC1SMN1; SMN2HTR1AHTR2A
SCHEMBL8032624 0.76 RAB9A (0.49) RAB9ANPC1SMN1; SMN2HTR1AHTR2A
SCHEMBL8043683 0.76 HTR1A (0.47) RAB9ANPC1SMN1; SMN2HTR1AHTR2A
SCHEMBL8051103 0.75 RAB9A (0.44) RAB9ANPC1SMN1; SMN2HTR1AHTR2A

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