SCHEMBL8041896

SCHEMBL8041896

CC(C)(C)c1ccc(-n2c(Sc3nc4c(Cl)cccc4s3)nnc2-c2cccs2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.43
HSD17B10 Q99714 7/20 0.43
KDM4E B2RXH2 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37
HPGD P15428 2/20 0.36
USP2 O75604 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PPARG P37231 1/20 0.35
HTT P42858 1/20 0.35
RXFP1 Q9HBX9 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
SCHEMBL8044158 0.89 TSHR (0.54) TSHRHSD17B10KDM4ESMN1; SMN2NPSR1
SCHEMBL8042778 0.88 TSHR (0.43) TSHRHSD17B10KDM4ESMN1; SMN2NPSR1
SCHEMBL8047465 0.87 NPSR1 (0.47) TSHRHSD17B10KDM4ESMN1; SMN2NPSR1
SCHEMBL8042040 0.87 TSHR (0.43) TSHRHSD17B10KDM4ESMN1; SMN2NPSR1
SCHEMBL8043050 0.85 HSD17B10 (0.49) TSHRHSD17B10KDM4ESMN1; SMN2NPSR1
SCHEMBL8048191 0.85 TSHR (0.45) TSHRHSD17B10KDM4ESMN1; SMN2NPSR1
SCHEMBL8042008 0.85 HSD17B10 (0.49) TSHRHSD17B10KDM4ESMN1; SMN2NPSR1
SCHEMBL8043594 0.84 TSHR (0.43) TSHRHSD17B10KDM4ESMN1; SMN2NPSR1
SCHEMBL8048668 0.83 TSHR (0.49) TSHRHSD17B10KDM4ESMN1; SMN2NPSR1
SCHEMBL8042284 0.81 TSHR (0.56) TSHRHSD17B10KDM4ESMN1; SMN2NPSR1

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