SCHEMBL8050192

SCHEMBL8050192

Clc1ccc(-c2csc(Sc3nnc(-c4cccs4)n3-c3ccc(Br)cc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.51
KDM4E B2RXH2 5/20 0.51
NPSR1 Q6W5P4 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PTGS2 P35354 1/20 0.49
TSHR P16473 7/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.37
PLA2G1B P04054 1/20 0.37
RAB9A P51151 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TP53 P04637 2/20 0.37

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
SCHEMBL8051082 0.91 TSHR (0.55) HSD17B10KDM4ENPSR1SMN1; SMN2PTGS2
SCHEMBL8042464 0.91 TSHR (0.52) HSD17B10KDM4ENPSR1SMN1; SMN2PTGS2
SCHEMBL8052217 0.88 LMNA (0.52) HSD17B10KDM4ENPSR1SMN1; SMN2PTGS2
SCHEMBL8044823 0.88 HSD17B10 (0.48) HSD17B10KDM4ENPSR1SMN1; SMN2PTGS2
SCHEMBL8043215 0.88 HSD17B10 (0.48) HSD17B10KDM4ENPSR1SMN1; SMN2PTGS2
SCHEMBL8044980 0.87 HSD17B10 (0.57) HSD17B10KDM4ENPSR1SMN1; SMN2PTGS2
SCHEMBL8033884 0.87 KDM4E (0.50) HSD17B10KDM4ENPSR1SMN1; SMN2PTGS2
SCHEMBL8045030 0.86 KDM4E (0.49) HSD17B10KDM4ENPSR1SMN1; SMN2PTGS2
SCHEMBL8041893 0.85 TSHR (0.50) HSD17B10KDM4ENPSR1SMN1; SMN2PTGS2
SCHEMBL8051535 0.84 TSHR (0.42) HSD17B10KDM4ENPSR1SMN1; SMN2PTGS2

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 2 patents. 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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed