SCHEMBL13812584

SCHEMBL13812584

CC(=O)Nc1ccc(Cl)cc1C(=O)Nc1cccc(OCCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ SIRT2 Q8IXJ6 3/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NR1H4 Q96RI1 1/20 0.51
▸ MAPT P10636 1/20 0.49
▸ HSPH1 Q92598 1/20 0.48
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ MET P08581 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ LRRK2 Q5S007 1/20 0.46
▸ TP53 P04637 1/20 0.46

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
SCHEMBL13812550 0.92 SIRT2 (0.52) MEN1KMT2ASIRT2SMN1; SMN2NR1H4
SCHEMBL13812800 0.87 KDM4E (0.50) MEN1KMT2ASIRT2SMN1; SMN2MAPT
SCHEMBL3863657 0.85 P2RX1 (0.62) MEN1KMT2ASIRT2NR1H4NPC1
SCHEMBL13812586 0.85 NR1H4 (0.50) MEN1KMT2ASIRT2SMN1; SMN2NR1H4
SCHEMBL13812764 0.85 LRRK2 (0.55) MEN1KMT2ASIRT2NR1H4MAPT
SCHEMBL13812551 0.85 SIRT2 (0.52) MEN1KMT2ASIRT2SMN1; SMN2NR1H4
SCHEMBL13812546 0.85 SIRT2 (0.59) MEN1KMT2ASIRT2SMN1; SMN2NR1H4
SCHEMBL13812799 0.81 NR1H4 (0.50) MEN1KMT2ASIRT2NR1H4MAPT
SCHEMBL13812552 0.81 SIRT2 (0.52) MEN1KMT2ASIRT2NR1H4MAPT
SCHEMBL13812642 0.81 P2RX1 (0.61) MEN1KMT2ASIRT2NR1H4MAPT

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-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
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