SCHEMBL14609785

SCHEMBL14609785

CCc1cc(-c2[nH]nc(S)c2-c2ccc(OC)c3c2ccn3C(C)C)c(O)cc1C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ MAPT P10636 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ HSP90AA1 P07900 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
SCHEMBL1149360 0.93 MEN1 (0.38) MEN1KMT2AMAPTPOLBGAA
SCHEMBL1148187 0.82 MEN1 (0.40) MEN1KMT2AMAPTPOLBGAA
SCHEMBL12046510 0.78 GAA (0.37) MEN1KMT2AMAPTPOLBGAA
SCHEMBL14345498 0.76 HSP90AA1 (0.38) MEN1KMT2AMAPTPOLBGAA
SCHEMBL14618520 0.75 ATP4A (0.35) MEN1KMT2AGAA
SCHEMBL1148563 0.74 HSP90AA1 (0.38) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL1343626 0.74 GAA (0.39) MEN1KMT2AMAPTPOLBGAA
SCHEMBL14609912 0.74 KMT2A (0.35) MEN1KMT2AMAPTPOLBGAA
SCHEMBL14609861 0.73 KMT2A (0.38) MEN1KMT2AMAPTPOLBGAA
SCHEMBL14609858 0.73 KMT2A (0.38) MEN1KMT2AMAPTPOLBGAA

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-2007021966-A1 PYRAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-02-22 — — WO disclosed
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