SCHEMBL13983155

SCHEMBL13983155

CCCCOc1ccc(-c2c(Cl)cccc2[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ TLR4 O00206 1/20 0.43
▸ TLR2 O60603 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ BCL2L1 Q07817 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2D6 P10635 2/20 0.40

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
SCHEMBL13982736 0.79 NPC1 (0.50) MAPTNPC1RAB9ASMN1; SMN2TLR4
SCHEMBL13983157 0.77 MAPT (0.48) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13982703 0.76 SMN1; SMN2 (0.46) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13982735 0.75 SMN1; SMN2 (0.45) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL30462497 0.75 TDP1 (0.53) MAPTKMT2AMAPK1MEN1ALDH1A1
SCHEMBL15987733 0.75 TDP1 (0.53) MAPTKMT2AMAPK1MEN1ALDH1A1
SCHEMBL13656495 0.75 HRH2 (0.57) MAPTNPC1RAB9AHRH3KMT2A
SCHEMBL28853175 0.75 MAPT (0.60) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL9513657 0.75 MAPT (0.56) MAPTNPC1RAB9AKMT2ATLR4
SCHEMBL13982826 0.74 GPR35 (0.48) MAPTKMT2AMAPK1MEN1RECQL

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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