SCHEMBL8043244

SCHEMBL8043244

O=C(Nc1cnc(Sc2nnc(-c3cccs3)n2-c2ccc(Oc3ccccc3)cc2)s1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.46
MAPK1 P28482 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 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
MAPT P10636 1/20 0.46
HSD17B10 Q99714 6/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 3/20 0.46
USP2 O75604 3/20 0.46
TSHR P16473 7/20 0.45
KDM4E B2RXH2 4/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 1/20 0.41
OPRK1 P41145 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
SCHEMBL8038005 0.93 NPSR1 (0.56) NPSR1MAPK1MEN1KMT2APPARG
SCHEMBL8043654 0.92 TSHR (0.52) NPSR1MAPK1MEN1KMT2APPARG
SCHEMBL8032459 0.91 HSD17B10 (0.49) NPSR1MAPK1MEN1KMT2APPARG
SCHEMBL8045038 0.90 TSHR (0.47) NPSR1MAPK1MEN1KMT2APPARG
SCHEMBL8046996 0.88 TSHR (0.45) NPSR1MAPK1MEN1KMT2APPARG
SCHEMBL8045759 0.88 RECQL (0.47) NPSR1MAPK1MEN1KMT2APPARG
SCHEMBL8033434 0.87 TSHR (0.46) NPSR1MAPK1MEN1KMT2APPARG
SCHEMBL8046929 0.86 TSHR (0.52) NPSR1MAPK1MEN1KMT2APPARG
SCHEMBL8043041 0.84 TSHR (0.49) NPSR1MAPK1MEN1KMT2APPARG
SCHEMBL8051531 0.82 ALDH1A1 (0.45) NPSR1MAPK1MEN1KMT2APPARG

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