SCHEMBL13425635

SCHEMBL13425635

CCCCOc1ccccc1C(=O)C(Br)I

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ NR1I2 O75469 1/20 0.58
▸ CHRM2 P08172 1/20 0.58
▸ ADRA2A P08913 1/20 0.58
▸ OPRK1 P41145 1/20 0.58
▸ HTR2B P41595 1/20 0.58
▸ SLC6A3 Q01959 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.50
▸ PTPN11 Q06124 1/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ TSHR P16473 4/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ TP53 P04637 1/20 0.46
▸ MAPK1 P28482 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
SCHEMBL11381266 0.79 LMNA (0.67) LMNAMEN1KMT2AMAPTCYP3A4
SCHEMBL9898531 0.79 LMNA (0.66) LMNAMEN1KMT2AMAPTCYP3A4
SCHEMBL2819531 0.78 KMT2A (0.54) LMNAMEN1KMT2AMAPTCYP3A4
SCHEMBL11264123 0.78 LMNA (0.54) LMNAMEN1KMT2AMAPTCYP3A4
SCHEMBL29994009 0.78 KMT2A (0.69) LMNAMEN1KMT2AMAPTCYP3A4
SCHEMBL50006 0.78 LMNA (0.64) LMNAMEN1KMT2AMAPTCYP3A4
SCHEMBL8154526 0.78 LMNA (0.74) LMNAMEN1KMT2AMAPTCYP3A4
Benzene SCHEMBL28006345 0.78 KMT2A (0.69) LMNAMEN1KMT2AMAPTCYP3A4
SCHEMBL301123 0.78 KMT2A (0.69) LMNAMEN1KMT2AMAPTCYP3A4
SCHEMBL11032435 0.77 LMNA (0.52) LMNAMEN1KMT2AMAPTCYP3A4

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 — — WO disclosed
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