SCHEMBL8042628

SCHEMBL8042628

CC(C)(C)c1nc(Sc2nnnn2-c2ccc(Br)cc2)sc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.41
LMNA P02545 7/20 0.41
TP53 P04637 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
HTT P42858 5/20 0.41
MAPK1 P28482 5/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
HSD17B10 Q99714 4/20 0.41
KDM1A O60341 1/20 0.41
TSHR P16473 4/20 0.35
HPGD P15428 4/20 0.35
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 2/20 0.34
GAA P10253 2/20 0.34
HKDC1 Q2TB90 1/20 0.34
RAB9A P51151 2/20 0.33
PAX8 Q06710 1/20 0.33

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
SCHEMBL8043561 0.91 ALDH1A1 (0.52) ALDH1A1LMNATP53SMN1; SMN2HTT
SCHEMBL8043610 0.90 ALDH1A1 (0.39) ALDH1A1LMNATP53SMN1; SMN2HTT
SCHEMBL8052060 0.89 MAPT (0.41) ALDH1A1LMNATP53SMN1; SMN2HTT
SCHEMBL8051376 0.89 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2HTTMAPK1
SCHEMBL8044801 0.87 RECQL (0.48) ALDH1A1LMNATP53SMN1; SMN2HTT
SCHEMBL8044479 0.86 SMN1; SMN2 (0.44) ALDH1A1LMNATP53SMN1; SMN2HTT
SCHEMBL8032855 0.86 PTGS2 (0.41) ALDH1A1LMNATP53SMN1; SMN2HTT
SCHEMBL8043940 0.84 ALDH1A1 (0.43) ALDH1A1LMNATP53SMN1; SMN2HTT
SCHEMBL8033692 0.83 ALDH1A1 (0.40) ALDH1A1LMNATP53SMN1; SMN2HTT
SCHEMBL8050561 0.82 ALDH1A1 (0.34) ALDH1A1LMNATP53SMN1; SMN2HTT

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