SCHEMBL8046253

SCHEMBL8046253

CC(C)(C)c1nnc(Sc2ncc(Cl)s2)n1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
VCP P55072 5/20 0.33
SIRT2 Q8IXJ6 2/20 0.33
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 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
SCHEMBL8044835 0.82 USP7 (0.38) TSHRMEN1KMT2AALDH1A1VCP
SCHEMBL8045179 0.81 TSHR (0.33) TSHRMEN1KMT2AALDH1A1VCP
SCHEMBL8044168 0.81 MAPK8 (0.44) MEN1KMT2AALDH1A1SIRT2
SCHEMBL8041815 0.79 MEN1 (0.33) MEN1KMT2A
SCHEMBL8033675 0.78 TSHR (0.39) TSHRMEN1KMT2AALDH1A1VCP
SCHEMBL8045350 0.77 SMN1; SMN2 (0.39) TSHRMEN1KMT2AALDH1A1HSD17B10
SCHEMBL8042581 0.76 ATM (0.47) TSHRMEN1KMT2AALDH1A1
SCHEMBL8050159 0.76 LMNA (0.42) TSHRMEN1KMT2AALDH1A1LMNA
SCHEMBL8050859 0.76 ALDH1A1 (0.35) TSHRMEN1KMT2AALDH1A1VCP
SCHEMBL8050718 0.76 HTT (0.51) TSHRMEN1KMT2AALDH1A1KDM4E

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