SCHEMBL8032404

SCHEMBL8032404

CC(C)(C)c1nc(Sc2nnc(-c3cccs3)n2CCCCCS(C)(=O)=O)sc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TSHR P16473 4/20 0.36
ALDH1A1 P00352 6/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KDM4E B2RXH2 2/20 0.35
USP2 O75604 2/20 0.34
CYP3A4 P08684 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
MIF P14174 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 2/20 0.33
CYP1A2 P05177 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
SCHEMBL8044219 0.89 TSHR (0.38) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL8712882 0.86 MAPT (0.33) TSHRMAPTKDM4EHSD17B10RAB9A
SCHEMBL8047456 0.84 MEN1 (0.47) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL8047418 0.82 KMT2A (0.38) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL8042652 0.82 KDM4E (0.40) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL8041811 0.81 ALDH1A1 (0.50) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL8033984 0.81 RAB9A (0.45) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL8043169 0.80 HSP90AA1 (0.46) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL8044857 0.80 KDM4E (0.53) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL8050300 0.80 KDM4E (0.40) MEN1KMT2ATSHRALDH1A1MAPT

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