SCHEMBL8047577

SCHEMBL8047577

Brc1nc(Sc2nnnn2-c2ccc(Oc3ccccc3)cc2)sc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 17/20 0.45
LMNA P02545 10/20 0.45
MAPT P10636 5/20 0.45
HTT P42858 4/20 0.45
MAPK1 P28482 3/20 0.45
TP53 P04637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 5/20 0.43
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 4/20 0.40
KDM4E B2RXH2 2/20 0.40

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) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL8044479 0.86 SMN1; SMN2 (0.44) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL8048499 0.86 KDM4E (0.49) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL8043940 0.84 ALDH1A1 (0.43) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL8045992 0.82 ALDH1A1 (0.58) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL8034305 0.81 KMT2A (0.51) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL8044786 0.80 ALDH1A1 (0.42) SMN1; SMN2KMT2AALDH1A1LMNAMAPT
SCHEMBL8042640 0.79 MAPT (0.44) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL8032815 0.78 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA
SCHEMBL8041878 0.78 KEAP1 (0.45) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA

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