SCHEMBL8710461

SCHEMBL8710461

CC(C)(C)c1nc(Sc2nnc(CCC(=O)O)s2)sc1Br.Cc1csc(Sc2nnc(CCC(=O)O)s2)n1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
HTT P42858 1/20 0.32
FFAR1 O14842 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 2/20 0.31
GLA P06280 1/20 0.31
TSHR P16473 1/20 0.31
THRB P10828 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL8050250 0.91 ALDH1A1 (0.34) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL8043988 0.86 MEN1 (0.44) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8043229 0.79 MEN1 (0.36) MEN1KMT2AALDH1A1MAPTRAB9A
SCHEMBL8051739 0.79 ALDH1A1 (0.37) ALDH1A1MAPTSMN1; SMN2TSHR
SCHEMBL8046531 0.77 PTGS1 (0.32)
SCHEMBL8032336 0.75 PTGS1 (0.32)
SCHEMBL8042604 0.74 ALDH1A1 (0.35) ALDH1A1
SCHEMBL8044871 0.74 ATM (0.42) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8048226 0.74 MEN1 (0.45) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8042342 0.74 PTGS1 (0.33) 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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed