SCHEMBL8043940

SCHEMBL8043940

Brc1ccc(-n2nnnc2Sc2nc(Br)c(Br)s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.43
LMNA P02545 8/20 0.43
TP53 P04637 6/20 0.43
KMT2A Q03164 6/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 5/20 0.43
HTT P42858 4/20 0.43
HSD17B10 Q99714 4/20 0.43
MAPK1 P28482 4/20 0.43
KDM1A O60341 1/20 0.42
TSHR P16473 6/20 0.37
HPGD P15428 4/20 0.37
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
JAK2 O60674 1/20 0.36
TLR9 Q9NR96 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 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
SCHEMBL8052220 0.89 ALDH1A1 (0.54) ALDH1A1LMNATP53KMT2ASMN1; SMN2
SCHEMBL8044786 0.87 ALDH1A1 (0.42) ALDH1A1LMNATP53KMT2ASMN1; SMN2
SCHEMBL8048499 0.86 KDM4E (0.49) ALDH1A1LMNATP53KMT2ASMN1; SMN2
SCHEMBL8042640 0.86 MAPT (0.44) ALDH1A1LMNATP53KMT2ASMN1; SMN2
SCHEMBL8034305 0.85 KMT2A (0.51) ALDH1A1LMNATP53KMT2ASMN1; SMN2
SCHEMBL8047577 0.84 SMN1; SMN2 (0.45) ALDH1A1LMNATP53KMT2ASMN1; SMN2
SCHEMBL8042219 0.84 PTGS2 (0.44) ALDH1A1LMNATP53KMT2ASMN1; SMN2
SCHEMBL8042628 0.84 ALDH1A1 (0.41) ALDH1A1LMNATP53KMT2ASMN1; SMN2
SCHEMBL8044064 0.81 ALDH1A1 (0.41) ALDH1A1LMNATP53KMT2ASMN1; SMN2
SCHEMBL8045604 0.80 ALDH1A1 (0.34) ALDH1A1LMNATP53KMT2ASMN1; SMN2

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