SCHEMBL8048248

SCHEMBL8048248

COc1ccc(-n2c(Sc3ncc(Cl)s3)nnc2-c2cccs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPK1 P28482 3/20 0.49
MAPT P10636 3/20 0.49
PPARG P37231 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
HSD17B10 Q99714 6/20 0.48
ALDH1A1 P00352 6/20 0.48
USP2 O75604 3/20 0.48
HPGD P15428 3/20 0.48
TSHR P16473 8/20 0.48
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 3/20 0.44
PTGS2 P35354 1/20 0.43
TP53 P04637 1/20 0.41
POLB P06746 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
SCHEMBL8042736 0.89 TSHR (0.52) NPSR1MEN1KMT2AMAPK1MAPT
SCHEMBL8033943 0.87 TSHR (0.61) NPSR1MEN1KMT2AMAPK1MAPT
SCHEMBL8043144 0.87 TSHR (0.50) NPSR1MEN1KMT2AMAPK1PPARG
SCHEMBL8043564 0.86 TSHR (0.48) NPSR1MEN1KMT2AMAPK1MAPT
SCHEMBL8033911 0.86 TSHR (0.48) NPSR1MEN1KMT2AMAPK1MAPT
SCHEMBL8047445 0.85 NPSR1 (0.50) NPSR1MEN1KMT2AMAPK1MAPT
SCHEMBL8050243 0.85 NPSR1 (0.57) NPSR1MEN1KMT2AMAPK1MAPT
SCHEMBL7850363 0.84 NPSR1 (0.49) NPSR1MEN1KMT2AMAPK1MAPT
SCHEMBL8042241 0.83 NPSR1 (0.54) NPSR1MEN1KMT2AMAPK1MAPT
SCHEMBL8050287 0.83 HSD17B10 (0.53) NPSR1MEN1KMT2AMAPK1MAPT

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