SCHEMBL17368907

SCHEMBL17368907

CCCCCCN1c2ccccc2Sc2cc(/C=C(\C#N)C(=O)Nc3ccc(N(CCCCCCCCCCC(=O)O)CCCCCCCCCCC(=O)O)c(N(CCCCCCCCCCC(=O)O)CCCCCCCCCCC(=O)O)c3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDF Q9HBH1 2/20 0.37
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ LMNA P02545 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ USP2 O75604 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ TP53 P04637 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ PSMD14 O00487 1/20 0.36
▸ RGS12 O14924 1/20 0.36
▸ GMNN O75496 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ CYP3A4 P08684 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
SCHEMBL17368893 0.74 CA12 (0.50) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL27765010 0.72 PDF (0.47) PDFMEN1KMT2ALMNAALDH1A1
SCHEMBL16488357 0.72 PDF (0.43) PDFMEN1KMT2ALMNASMN1; SMN2
SCHEMBL17372277 0.71 ALDH1A1 (0.40) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL30249167 0.69 PDF (0.39) PDFMEN1KMT2ALMNATP53
SCHEMBL31174404 0.67 PDF (0.53) PDFLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL30445358 0.66 PDF (0.54) PDFMEN1KMT2ALMNASMN1; SMN2
SCHEMBL16488362 0.66 PDF (0.37) PDFMEN1KMT2ALMNASMN1; SMN2
SCHEMBL12307185 0.66 PDF (0.37) PDFALDH1A1TP53HPGDCYP1A2
SCHEMBL13345043 0.66 ALDH1A1 (0.38) LMNAALDH1A1MAPK1KDM4EEGFR

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
US-20150380171-A1 CARRIER SYSTEM AND PHOTOELECTRIC CONVERSION DEVICE ADEKA CORPORATION (JP) 2015-12-31 — — US disclosed
US-20150380171-A1 CARRIER SYSTEM AND PHOTOELECTRIC CONVERSION DEVICE ADEKA CORPORATION (JP) 2015-12-31 — — US disclosed
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