SCHEMBL8042731

SCHEMBL8042731

CSc1ccc(-n2nnnc2Sc2nc(C)cs2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.41
LMNA P02545 7/20 0.41
HTT P42858 6/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
TP53 P04637 5/20 0.41
MAPT P10636 5/20 0.41
HSD17B10 Q99714 4/20 0.41
MAPK1 P28482 4/20 0.41
HPGD P15428 4/20 0.40
JAK2 O60674 1/20 0.39
TLR9 Q9NR96 1/20 0.39
TSHR P16473 5/20 0.38
GAA P10253 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
PKM P14618 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MEN1 O00255 2/20 0.35

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
SCHEMBL8044963 0.86 ALDH1A1 (0.42) ALDH1A1LMNAHTTPOLBKMT2A
SCHEMBL8043945 0.85 ALDH1A1 (0.57) ALDH1A1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL8046282 0.84 SMN1; SMN2 (0.49) ALDH1A1LMNAHTTPOLBKMT2A
SCHEMBL8042535 0.84 PTGS2 (0.44) ALDH1A1LMNAHTTPOLBKMT2A
SCHEMBL8042528 0.82 ALDH1A1 (0.45) ALDH1A1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL8032329 0.81 RECQL (0.53) ALDH1A1LMNAHTTPOLBKMT2A
SCHEMBL8032472 0.81 PTGS2 (0.48) KMT2A
SCHEMBL8032815 0.81 SMN1; SMN2 (0.52) ALDH1A1LMNAHTTKMT2ASMN1; SMN2
SCHEMBL8044092 0.80 KMT2A (0.45) ALDH1A1LMNAHTTPOLBKMT2A
SCHEMBL8042445 0.80 HSD17B10 (0.44) ALDH1A1LMNAHTTPOLBKMT2A

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