SCHEMBL8042778

SCHEMBL8042778

Clc1cccc2sc(Sc3nnc(-c4cccs4)n3-c3ccc(Br)cc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.43
HSD17B10 Q99714 6/20 0.43
KDM4E B2RXH2 5/20 0.43
NPSR1 Q6W5P4 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
RECQL P46063 1/20 0.37
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
PPARG P37231 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NR2E3 Q9Y5X4 1/20 0.36

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 0.91 TSHR (0.54) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8047465 0.88 NPSR1 (0.47) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8042040 0.88 TSHR (0.43) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8041896 0.88 TSHR (0.43) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8042008 0.87 HSD17B10 (0.49) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8048191 0.87 TSHR (0.45) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8043594 0.86 TSHR (0.43) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8048668 0.85 TSHR (0.49) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8046636 0.84 HSD17B10 (0.49) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2
SCHEMBL8042284 0.82 TSHR (0.56) TSHRHSD17B10KDM4ENPSR1SMN1; SMN2

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