SCHEMBL8710822

SCHEMBL8710822

c1ccc(-c2csc(Sc3cnc(-c4nnn[nH]4)s3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
RAB9A P51151 8/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 4/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 2/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
BRCA1 P38398 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AR P10275 1/20 0.35
NPC1 O15118 4/20 0.34

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
SCHEMBL8050210 0.75 HTR1A (0.48) HTR1AHTR2AHTR7RAB9AHTT
SCHEMBL8710131 0.74 HTR1A (0.39) HTR1AHTR2AHTR7RAB9AHTT
SCHEMBL3597116 0.71 SREBF2 (0.57) RAB9AALDH1A1KDM4EKMT2AMEN1
SCHEMBL13545609 0.71 SREBF2 (0.57) RAB9AALDH1A1KDM4EKMT2AMEN1
SCHEMBL8710649 0.71 HCAR2 (0.37)
SCHEMBL8715968 0.68 MAPK8 (0.47) RAB9AHTTALDH1A1KMT2AMEN1
SCHEMBL8050637 0.67 HDAC6 (0.49) HTR1AHTR2AHTR7RAB9AHTT
SCHEMBL8032700 0.66 HTR1A (0.49) HTR1AHTR2AHTR7RAB9AHTT
SCHEMBL13545613 0.65 KDM4E (0.54) RAB9AALDH1A1KDM4EKMT2AMEN1
SCHEMBL4047725 0.65 HTR1A (0.58) 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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed