SCHEMBL8048121

SCHEMBL8048121

O=C(O)Cc1csc(Sc2nnnn2-c2ccc(Br)s2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
HSD17B10 Q99714 3/20 0.36
GABRA5 P31644 1/20 0.36
GABRB2 P47870 1/20 0.36
LMNA P02545 5/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TP53 P04637 2/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 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
SCHEMBL8048414 0.87 LMNA (0.36) ALDH1A1HSD17B10GABRA5GABRB2LMNA
SCHEMBL8043591 0.84 KMT2A (0.37) ALDH1A1HSD17B10GABRA5GABRB2LMNA
SCHEMBL8051292 0.83 CYP1A2 (0.38) ALDH1A1HSD17B10GABRA5GABRB2LMNA
SCHEMBL8041793 0.83 POLB (0.43) ALDH1A1HSD17B10GABRA5GABRB2LMNA
SCHEMBL8051833 0.81 POLB (0.54) ALDH1A1HSD17B10LMNAPOLBSMN1; SMN2
SCHEMBL8048135 0.80 ALDH1A1 (0.37) ALDH1A1HSD17B10GABRA5GABRB2LMNA
SCHEMBL8043087 0.78 ALDH1A1 (0.36) ALDH1A1HSD17B10LMNAPOLBSMN1; SMN2
SCHEMBL8034317 0.78 HPGD (0.51) ALDH1A1HSD17B10LMNAPOLBSMN1; SMN2
SCHEMBL8050384 0.77 HTT (0.38) ALDH1A1HSD17B10LMNASMN1; SMN2TP53
SCHEMBL8044691 0.77 HSD17B10 (0.36) ALDH1A1HSD17B10GABRA5GABRB2LMNA

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 2 patents. 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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed