SCHEMBL8050076

SCHEMBL8050076

CC(C)(C)c1nc(Sc2nnn(CC(=O)O)n2)sc1Br

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SCD O00767 2/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL8043479 0.84
SCHEMBL8047429 0.82 ALDH1A1 (0.30) ALDH1A1RAB9A
SCHEMBL8044718 0.80 ALDH1A1 (0.31) KMT2AALDH1A1MAPTRAB9A
SCHEMBL8033664 0.80 RAB9A (0.39) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL8032733 0.78 KMT2A (0.33) MEN1KMT2AALDH1A1MAPTHTT
SCHEMBL8042516 0.77
SCHEMBL8032541 0.77 LMNA (0.33) MEN1KMT2AMAPTRECQL
SCHEMBL8032506 0.76
SCHEMBL8042402 0.72 ALDH1A1 (0.40) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL8043551 0.71 SMN1; SMN2 (0.51) MEN1KMT2AALDH1A1MAPTRAB9A

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