SCHEMBL8043692

SCHEMBL8043692

O=C(O)Cc1csc(Sc2nnnn2-c2sccc2C(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.36
GABRA5 P31644 1/20 0.36
GABRB2 P47870 1/20 0.36
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
NR4A1 P22736 1/20 0.35
RECQL P46063 1/20 0.35
ESR2 Q92731 1/20 0.35
LMNA P02545 4/20 0.34
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 2/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8044691 0.87 HSD17B10 (0.36) HSD17B10GABRA5GABRB2POLBTDP1
SCHEMBL8042914 0.84 LMNA (0.43) HSD17B10POLBTDP1MAPTKMT2A
SCHEMBL8051833 0.81 POLB (0.54) HSD17B10POLBTDP1MAPTKMT2A
SCHEMBL8048673 0.81 MEN1 (0.40) POLBTDP1MAPTKMT2AMEN1
SCHEMBL8034317 0.81 HPGD (0.51) HSD17B10POLBTDP1KMT2AMEN1
SCHEMBL8051292 0.81 CYP1A2 (0.38) HSD17B10GABRA5GABRB2POLBTDP1
SCHEMBL8048242 0.81 HSD17B10 (0.37) HSD17B10GABRA5GABRB2POLBTDP1
SCHEMBL8045476 0.80 KMT2A (0.40) HSD17B10POLBTDP1MAPTKMT2A
SCHEMBL8714734 0.78 KMT2A (0.43) HSD17B10POLBMAPTKMT2AMEN1
SCHEMBL8041793 0.78 POLB (0.43) HSD17B10GABRA5GABRB2POLBTDP1

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