SCHEMBL9865137

SCHEMBL9865137

O=C(NCc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1)OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.68
NR1H4 Q96RI1 8/20 0.66
HDAC1 Q13547 2/20 0.62
HDAC2 Q92769 2/20 0.62
HDAC3 O15379 1/20 0.62
RAB9A P51151 3/20 0.59
KMT2A Q03164 3/20 0.59
NPC1 O15118 2/20 0.59
MITF O75030 1/20 0.59
MAPK1 P28482 1/20 0.59
MEN1 O00255 2/20 0.58
POLB P06746 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58

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
SCHEMBL9865584 0.87 NAMPT (0.60) NAMPTNR1H4HDAC1HDAC2HDAC3
SCHEMBL9339143 0.83 PLAU (0.54) NR1H4HDAC1HDAC2HDAC3RAB9A
SCHEMBL6400257 0.83 MGLL (0.72) NR1H4RAB9AKMT2ANPC1MITF
SCHEMBL991841 0.83 HDAC1 (0.64) NAMPTNR1H4HDAC1HDAC2HDAC3
SCHEMBL9867342 0.81 NAMPT (0.59) NAMPTNR1H4HDAC1HDAC2HDAC3
SCHEMBL996878 0.81 NAMPT (0.78) NAMPTHDAC1HDAC2HDAC3MAPK1
SCHEMBL995725 0.81 NAMPT (1.00) NAMPTHDAC1HDAC2HDAC3
SCHEMBL9867345 0.80 NAMPT (0.52) NAMPTNR1H4MAPK1
SCHEMBL27952268 0.79 LMNA (0.70) NAMPTHDAC2RAB9AKMT2ANPC1
SCHEMBL9879968 0.77 HTT (0.60) NR1H4RAB9AKMT2ANPC1MITF

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
US-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed