SCHEMBL8046929

SCHEMBL8046929

O=C(Nc1cnc(Sc2nnc(-c3cccs3)n2-c2cccnc2)s1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.52
HSD17B10 Q99714 6/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPSR1 Q6W5P4 4/20 0.46
PPARG P37231 2/20 0.46
RXFP1 Q9HBX9 2/20 0.46
NR2E3 Q9Y5X4 2/20 0.46
NCOR2 Q9Y618 2/20 0.46
HTT P42858 2/20 0.46
RECQL P46063 1/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
MAPK1 P28482 3/20 0.41
MAPT P10636 2/20 0.41
CYP3A4 P08684 2/20 0.41
USP2 O75604 2/20 0.41
TP53 P04637 1/20 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
SCHEMBL8043654 0.93 TSHR (0.52) TSHRHSD17B10KDM4EMEN1KMT2A
SCHEMBL8032459 0.88 HSD17B10 (0.49) TSHRHSD17B10KDM4EMEN1KMT2A
SCHEMBL8045038 0.87 TSHR (0.47) TSHRHSD17B10KDM4EMEN1KMT2A
SCHEMBL8043244 0.86 NPSR1 (0.46) TSHRHSD17B10KDM4EMEN1KMT2A
SCHEMBL8046996 0.86 TSHR (0.45) TSHRHSD17B10KDM4EMEN1KMT2A
SCHEMBL8045759 0.85 RECQL (0.47) TSHRHSD17B10KDM4EMEN1KMT2A
SCHEMBL8038005 0.85 NPSR1 (0.56) TSHRHSD17B10KDM4EMEN1KMT2A
SCHEMBL8033434 0.84 TSHR (0.46) TSHRHSD17B10KDM4EMEN1KMT2A
SCHEMBL8051531 0.83 ALDH1A1 (0.45) TSHRHSD17B10KDM4EMEN1KMT2A
SCHEMBL8034275 0.83 TSHR (0.56) TSHRHSD17B10KDM4EMEN1KMT2A

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