SCHEMBL8032733

SCHEMBL8032733

CC(C)(C)c1nc(Sc2nnn(CCc3ccccc3)n2)sc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 1/20 0.33
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
ALOX15 P16050 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 3/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.30
PKM P14618 1/20 0.30
TP53 P04637 1/20 0.30
PTBP1 P26599 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8033664 0.89 RAB9A (0.39) KMT2AALDH1A1MAPTMEN1HTT
SCHEMBL8050904 0.85 ALDH1A1 (0.33) KMT2AALDH1A1MAPTMEN1HTT
SCHEMBL8047429 0.83 ALDH1A1 (0.30) ALDH1A1RAB9ASMN1; SMN2NPSR1
SCHEMBL8044718 0.81 ALDH1A1 (0.31) KMT2AALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL8043479 0.81
SCHEMBL8032728 0.79 ALDH1A1 (0.37) KMT2AALDH1A1MAPTMEN1HTT
SCHEMBL8050076 0.78 MEN1 (0.33) KMT2AALDH1A1MAPTMEN1HTT
SCHEMBL8048727 0.78 CYP1A2 (0.43) ALDH1A1MAPTRAB9AALOX15HSD17B10
SCHEMBL8042516 0.76
SCHEMBL8048326 0.76 TP53 (0.37) KMT2AALDH1A1MAPTMEN1RAB9A

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