SCHEMBL8034296

SCHEMBL8034296

c1ccc(-c2csc(Sc3nnc(-c4cccs4)n3-c3cccnc3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.58
HSD17B10 Q99714 8/20 0.51
KDM4E B2RXH2 7/20 0.51
ALDH1A1 P00352 6/20 0.47
MAPK1 P28482 2/20 0.47
TP53 P04637 1/20 0.43
RECQL P46063 1/20 0.42
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MEN1 O00255 1/20 0.41
PPARG P37231 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
RAB9A P51151 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL8041893 0.91 TSHR (0.50) TSHRHSD17B10KDM4EALDH1A1MAPK1
SCHEMBL8049124 0.91 TSHR (0.60) TSHRHSD17B10KDM4EALDH1A1MAPK1
SCHEMBL8042852 0.87 TSHR (0.48) TSHRHSD17B10KDM4EALDH1A1MAPK1
SCHEMBL8047569 0.85 TSHR (0.56) TSHRHSD17B10KDM4EALDH1A1MAPK1
SCHEMBL8042464 0.84 TSHR (0.52) TSHRHSD17B10KDM4EALDH1A1MAPK1
SCHEMBL8051082 0.84 TSHR (0.55) TSHRHSD17B10KDM4EALDH1A1MAPK1
SCHEMBL8034357 0.82 TSHR (0.50) TSHRHSD17B10KDM4EALDH1A1MAPK1
SCHEMBL8042111 0.82 TSHR (0.55) TSHRHSD17B10KDM4EALDH1A1MAPK1
SCHEMBL8046331 0.81 TSHR (0.52) TSHRHSD17B10KDM4EALDH1A1MAPK1
SCHEMBL8041786 0.81 NPSR1 (0.55) TSHRHSD17B10KDM4EALDH1A1MAPK1

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