SCHEMBL8044458

SCHEMBL8044458

CN(C)c1ccc(-n2c(Sc3ncc([N+](=O)[O-])s3)nnc2-c2cccs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.44
HSD17B10 Q99714 5/20 0.43
KDM4E B2RXH2 3/20 0.43
RECQL P46063 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
TLR9 Q9NR96 3/20 0.42
AGTR1 P30556 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 4/20 0.39
NPSR1 Q6W5P4 4/20 0.39
MAPK1 P28482 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 3/20 0.39
S1PR4 O95977 2/20 0.39
MAPT P10636 2/20 0.39
S1PR1 P21453 2/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPK8 P45983 3/20 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
SCHEMBL8044209 0.89 TSHR (0.56) TSHRHSD17B10KDM4ERECQLNPC1
SCHEMBL8043060 0.88 TSHR (0.46) TSHRHSD17B10KDM4ERECQLNPC1
SCHEMBL8042746 0.87 TSHR (0.44) TSHRHSD17B10KDM4ERECQLNPC1
SCHEMBL7850363 0.87 NPSR1 (0.49) TSHRHSD17B10KDM4ENPC1RAB9A
SCHEMBL8050546 0.85 HSD17B10 (0.47) TSHRHSD17B10KDM4ERECQLNPC1
SCHEMBL8044400 0.85 TSHR (0.46) TSHRHSD17B10KDM4ERECQLNPC1
SCHEMBL8034355 0.85 TSHR (0.48) TSHRHSD17B10KDM4ERECQLNPC1
SCHEMBL8033911 0.84 TSHR (0.48) TSHRHSD17B10KDM4ERECQLMEN1
SCHEMBL8032497 0.83 TSHR (0.52) TSHRHSD17B10KDM4ERECQLNPC1
SCHEMBL8043876 0.83 RECQL (0.50) TSHRHSD17B10KDM4ERECQLNPC1

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