SCHEMBL17692573

SCHEMBL17692573

CNC(=O)c1ccc2c3ccc(C(=O)NC(C)COCC(C)C)c4c(C(=O)O)ccc(c5ccc(C(=O)O)c1c52)c43

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ HPGD P15428 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ MTNR1A P48039 3/20 0.32
▸ MTNR1B P49286 3/20 0.32
▸ PLK1 P53350 1/20 0.32
▸ ADRB3 P13945 3/20 0.31
▸ ADRB1 P08588 2/20 0.31
▸ ACE2 Q9BYF1 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
SCHEMBL17692570 0.95 MEN1 (0.38) MEN1KMT2AHPGDKDM4EHSD17B10
SCHEMBL17692571 0.82 XDH (0.38) MEN1KMT2AHPGDKDM4EHSD17B10
SCHEMBL17692576 0.80 ALDH1A1 (0.42) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL30195119 0.79 MEN1 (0.54) MEN1KMT2AKDM4ECYP1A2SMN1; SMN2
SCHEMBL11520918 0.79 CYP1A2 (0.54) KMT2AHSD17B10CYP1A2BRD4ALDH1A1
SCHEMBL823153 0.79 CYP1A2 (0.54) KMT2AHSD17B10CYP1A2BRD4ALDH1A1
SCHEMBL30101142 0.79 CYP1A2 (0.54) KMT2AHSD17B10CYP1A2BRD4ALDH1A1
SCHEMBL2100060 0.79 CYP1A2 (0.54) KMT2AHSD17B10CYP1A2BRD4ALDH1A1
SCHEMBL823146 0.77 CYP1A2 (0.48) MEN1KMT2AHPGDKDM4ECYP1A2
SCHEMBL17481741 0.73 ALDH1A1 (0.34) MEN1KMT2AHPGDKDM4EHSD17B10

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-20160111626-A1 FLEXIBLE CONDUCTIVE MATERIAL AND TRANSDUCER SUMITOMO RIKO COMPANY LIMITED (JP) 2016-04-21 — — US disclosed
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