SCHEMBL5327156

SCHEMBL5327156

Cc1ccc(-c2nnc(SC(C)(C)C(=O)NN=Cc3ccco3)n2C2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
POLB P06746 3/20 0.43
TP53 P04637 1/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
ADRB2 P07550 1/20 0.36

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
SCHEMBL5327148 1.00 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL5328915 0.84 KMT2A (0.72) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL5328923 0.84 KMT2A (0.72) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL14542415 0.83 KMT2A (0.71) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL5338974 0.81 GAA (0.50) MEN1KMT2AALDH1A1TP53GAA
SCHEMBL14542394 0.80 KMT2A (0.66) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL5330488 0.77 KMT2A (0.62) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL5331047 0.77 KMT2A (0.62) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL5336137 0.77 KMT2A (0.62) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL5336129 0.77 KMT2A (0.62) MEN1KMT2AALDH1A1MAPTLMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007047394-A2 THIOTRIAZOLYL DERIVATIVES EPIX DELAWARE, INC. (US) 2007-04-26 WO claimed
WO-2007047394-A2 THIOTRIAZOLYL DERIVATIVES EPIX DELAWARE, INC. (US) 2007-04-26 WO disclosed