SCHEMBL8043688

SCHEMBL8043688

CCn1nnnc1Sc1nc(-c2ccccc2)cs1

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 5/20 0.45
HTT P42858 3/20 0.45
NPC1 O15118 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
ALDH1A1 P00352 8/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 2/20 0.42
TP53 P04637 2/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
TSHR P16473 3/20 0.40
LMNA P02545 3/20 0.40
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
HSD17B10 Q99714 3/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL8034187 0.90 HTR1A (0.44) HTR1AHTR2AHTR7RAB9AHTT
SCHEMBL8033580 0.88 POLB (0.44) HTR1AHTR2AHTR7RAB9AHTT
SCHEMBL8043207 0.88 MAPT (0.44) RAB9ANPC1ALDH1A1MAPTNPSR1
SCHEMBL8048583 0.86 ALDH1A1 (0.45) HTR1AHTR2AHTR7RAB9AHTT
SCHEMBL8043865 0.84 RAB9A (0.42) HTR1AHTR2AHTR7RAB9AHTT
SCHEMBL8048335 0.84 RAB9A (0.45) HTR1AHTR2AHTR7RAB9AHTT
SCHEMBL8051391 0.83 UBE2M (0.51) HTR1AHTR2AHTR7RAB9AHTT
SCHEMBL8033682 0.83 RAB9A (0.45) HTR1AHTR2AHTR7RAB9AHTT
SCHEMBL8044049 0.83 HTR1A (0.54) HTR1AHTR2AHTR7RAB9AHTT
SCHEMBL8050306 0.82 LMNA (0.41) HTR1AHTR2AHTR7RAB9AHTT

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