SCHEMBL17399556

SCHEMBL17399556

C=c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C=2c1ccccc1C(=O)N(C)CCCCO

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.37
▸ MEN1 O00255 3/20 0.31
▸ KMT2A Q03164 3/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ TSHR P16473 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ TACR1 P25103 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ GAA P10253 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
SCHEMBL17399555 0.94 PDK2 (0.35) PDK2MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL21896322 0.88 MEN1 (0.31) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL12302214 0.84 SMN1; SMN2 (0.42) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL17399559 0.84 MEN1 (0.35) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9976333 0.83 SMN1; SMN2 (0.34) MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL16093539 0.82 CA12 (0.39) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL13234516 0.81 MAOB (0.41) PDK2MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL15942835 0.80 TSHR (0.41) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL21648585 0.79 CA12 (0.34) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL21648614 0.78 CASP3 (0.35) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1

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-9228225-B2 Xanthene dyes BIOSEARCH TECHNOLOGIES, INC. (US) 2016-01-05 — — US disclosed
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