SCHEMBL8710052

SCHEMBL8710052

Cc1ccc(-n2nnnc2Sc2nc(-c3ccc(Cl)cc3)cs2)s1.Cc1ccc(-n2nnnc2Sc2nc(-c3ccccc3)cs2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
HSD17B10 Q99714 4/20 0.39
ALDH1A1 P00352 6/20 0.38
TSHR P16473 4/20 0.38
HTT P42858 3/20 0.38
USP2 O75604 1/20 0.38
ALOX5 P09917 1/20 0.37
MAPT P10636 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 2/20 0.36
MAPK1 P28482 2/20 0.36
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35

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
SCHEMBL8043194 0.96 KMT2A (0.43) LMNAKMT2ACYP1A2CYP2C19MEN1
SCHEMBL8047340 0.94 ALDH1A1 (0.40) LMNAKMT2AHSD17B10ALDH1A1TSHR
SCHEMBL8711210 0.85 HTT (0.41) LMNAKMT2ACYP1A2CYP2C19MEN1
SCHEMBL8046358 0.83 LMNA (0.39) LMNAKMT2ACYP1A2CYP2C19MEN1
SCHEMBL8041897 0.83 ALDH1A1 (0.47) LMNAKMT2ACYP1A2CYP2C19MEN1
SCHEMBL8043842 0.82 KMT2A (0.44) LMNAKMT2ACYP1A2CYP2C19MEN1
SCHEMBL8047667 0.81 LMNA (0.40) LMNAKMT2ACYP1A2CYP2C19MEN1
SCHEMBL8050384 0.81 HTT (0.38) LMNAKMT2AMEN1CYP3A4HSD17B10
SCHEMBL8715721 0.80 ALDH1A1 (0.41) LMNAKMT2ACYP1A2CYP2C19MEN1
SCHEMBL8044629 0.79 ALDH1A1 (0.39) LMNAKMT2AHSD17B10ALDH1A1TSHR

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