SCHEMBL13983157

SCHEMBL13983157

CCCCOc1cc(OC)ccc1-c1c(Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.48
▸ HPGD P15428 4/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ S1PR4 O95977 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ ALPG P10696 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL13982703 0.85 SMN1; SMN2 (0.46) MAPTHPGDSMN1; SMN2RAB9AKMT2A
SCHEMBL13983162 0.85 RAB9A (0.48) MAPTSMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL13982735 0.84 SMN1; SMN2 (0.45) MAPTHPGDSMN1; SMN2RAB9AKMT2A
SCHEMBL13982730 0.84 KMT2A (0.45) MAPTHPGDSMN1; SMN2RAB9AKMT2A
SCHEMBL13982697 0.83 MAPT (0.49) MAPTHPGDSMN1; SMN2RAB9AKMT2A
SCHEMBL13983281 0.81 MAPT (0.48) MAPTHPGDSMN1; SMN2RAB9AKMT2A
SCHEMBL13982760 0.80 MAPT (0.46) MAPTHPGDSMN1; SMN2RAB9AKMT2A
SCHEMBL13982779 0.80 MAPT (0.50) MAPTHPGDSMN1; SMN2RAB9AKMT2A
SCHEMBL13982737 0.79 RAB9A (0.41) MAPTSMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL13983081 0.79 KMT2A (0.43) MAPTHPGDSMN1; SMN2RAB9AKMT2A

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-2008156656-A2 METHOD FOR MAKING BIARYL COMPOUNDS, COMPOUNDS MADE BY THE METHOD, AND METHOD FOR THEIR USE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY (US) 2008-12-24 — — WO disclosed
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