SCHEMBL13812586

SCHEMBL13812586

CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(OCCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.50
▸ MEN1 O00255 4/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MAPT P10636 3/20 0.48
▸ SIRT2 Q8IXJ6 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ LMNA P02545 1/20 0.44

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
SCHEMBL13812584 0.85 MEN1 (0.53) NR1H4MEN1KMT2AMAPTSIRT2
SCHEMBL13812550 0.83 SIRT2 (0.52) NR1H4MEN1KMT2AMAPTSIRT2
SCHEMBL3863657 0.81 P2RX1 (0.62) NR1H4MEN1KMT2ASIRT2NPC1
SCHEMBL13812764 0.80 LRRK2 (0.55) NR1H4MEN1KMT2AMAPTSIRT2
SCHEMBL13812545 0.80 MEN1 (0.55) NR1H4MEN1KMT2AMAPTSIRT2
SCHEMBL13812547 0.80 MEN1 (0.55) NR1H4MEN1KMT2AMAPTSIRT2
SCHEMBL13812546 0.80 SIRT2 (0.59) NR1H4MEN1KMT2AMAPTSIRT2
SCHEMBL13812551 0.78 SIRT2 (0.52) NR1H4MEN1KMT2AMAPTSIRT2
SCHEMBL13812789 0.77 NR1H4 (0.61) NR1H4MEN1KMT2ASIRT2ALDH1A1
SCHEMBL13812675 0.77 NR1H4 (0.48) NR1H4MEN1KMT2AMAPTSIRT2

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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