SCHEMBL8043939

SCHEMBL8043939

CS(=O)(=O)c1cnc(Sc2nnc(-c3cccs3)n2-c2ccc(Oc3ccccc3)cc2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.48
HSD17B10 Q99714 8/20 0.47
KDM4E B2RXH2 4/20 0.47
NPSR1 Q6W5P4 5/20 0.45
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PPARG P37231 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
NR2E3 Q9Y5X4 2/20 0.43
NCOR2 Q9Y618 2/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
USP2 O75604 2/20 0.41
HTT P42858 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 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
SCHEMBL8042389 0.92 TSHR (0.57) TSHRHSD17B10KDM4ENPSR1ALDH1A1
SCHEMBL8047445 0.91 NPSR1 (0.50) TSHRHSD17B10KDM4ENPSR1ALDH1A1
SCHEMBL8043091 0.87 TSHR (0.46) TSHRHSD17B10KDM4ENPSR1ALDH1A1
SCHEMBL8050378 0.86 HSD17B10 (0.49) TSHRHSD17B10KDM4ENPSR1ALDH1A1
SCHEMBL8048642 0.85 TSHR (0.45) TSHRHSD17B10KDM4ENPSR1ALDH1A1
SCHEMBL8044617 0.85 TSHR (0.45) TSHRHSD17B10KDM4ENPSR1ALDH1A1
SCHEMBL8042043 0.85 TSHR (0.49) TSHRHSD17B10KDM4ENPSR1ALDH1A1
SCHEMBL8042736 0.84 TSHR (0.52) TSHRHSD17B10KDM4ENPSR1ALDH1A1
SCHEMBL8043041 0.84 TSHR (0.49) TSHRHSD17B10KDM4ENPSR1ALDH1A1
SCHEMBL8047047 0.83 TSHR (0.52) TSHRHSD17B10KDM4ENPSR1ALDH1A1

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