SCHEMBL8050561

SCHEMBL8050561

CC(C)(C)c1nc(Sc2nnnn2-c2ccc(Br)s2)sc1Br

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL8041914 0.90 ALDH1A1 (0.33) ALDH1A1LMNATP53MAPTMAPK1
SCHEMBL8042693 0.84 ALDH1A1 (0.35) ALDH1A1LMNATP53MAPTMAPK1
SCHEMBL8045604 0.84 ALDH1A1 (0.34) ALDH1A1LMNATP53MAPTMAPK1
SCHEMBL8044240 0.84 KMT2A (0.35) ALDH1A1LMNATP53MAPTMAPK1
SCHEMBL8042628 0.82 ALDH1A1 (0.41) ALDH1A1LMNATP53MAPTMAPK1
SCHEMBL8043561 0.82 ALDH1A1 (0.52) ALDH1A1LMNATP53MAPTMAPK1
SCHEMBL8042815 0.82 ALDH1A1 (0.31) ALDH1A1LMNATP53MAPTMAPK1
SCHEMBL8043610 0.80 ALDH1A1 (0.39) ALDH1A1LMNATP53MAPTMAPK1
SCHEMBL8051376 0.79 ALDH1A1 (0.45) ALDH1A1LMNAMAPTMAPK1HTT
SCHEMBL8052060 0.79 MAPT (0.41) ALDH1A1LMNATP53MAPTMAPK1

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