SCHEMBL8043876

SCHEMBL8043876

CN(C)c1ccc(-n2c(Sc3ncc(C(=O)O)s3)nnc2-c2cccs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.50
TSHR P16473 6/20 0.47
HSD17B10 Q99714 7/20 0.47
KDM4E B2RXH2 4/20 0.47
NPSR1 Q6W5P4 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 6/20 0.45
HPGD P15428 3/20 0.45
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
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL8034049 0.89 TSHR (0.58) RECQLTSHRHSD17B10KDM4ENPSR1
SCHEMBL8042001 0.89 HSD17B10 (0.50) RECQLTSHRHSD17B10KDM4ENPSR1
SCHEMBL8050851 0.88 TSHR (0.49) RECQLTSHRHSD17B10KDM4ENPSR1
SCHEMBL8048208 0.87 TSHR (0.47) RECQLTSHRHSD17B10KDM4ENPSR1
SCHEMBL8050243 0.87 NPSR1 (0.57) RECQLTSHRHSD17B10KDM4ENPSR1
SCHEMBL8043041 0.85 TSHR (0.49) RECQLTSHRHSD17B10KDM4ENPSR1
SCHEMBL8033911 0.85 TSHR (0.48) RECQLTSHRHSD17B10KDM4ENPSR1
SCHEMBL8042723 0.84 TSHR (0.48) RECQLTSHRHSD17B10KDM4ENPSR1
SCHEMBL8045759 0.84 RECQL (0.47) RECQLTSHRHSD17B10KDM4ENPSR1
SCHEMBL8044617 0.83 TSHR (0.45) RECQLTSHRHSD17B10KDM4ENPSR1

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