SCHEMBL8566558

SCHEMBL8566558

CNC(=O)c1c(C)ccnc1Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TDP1 Q9NUW8 1/20 0.49
PKM P14618 1/20 0.47
GCK P35557 1/20 0.46
MAPK8 P45983 3/20 0.45
BRAF P15056 1/20 0.43
KDR P35968 1/20 0.43
KMT2A Q03164 1/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.40
RAB9A P51151 1/20 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
SCHEMBL28368341 0.85 ALDH1A1 (0.50) ALDH1A1L3MBTL1TDP1PKMGCK
SCHEMBL8568267 0.82 ALDH1A1 (0.48) ALDH1A1L3MBTL1TDP1PKMGCK
SCHEMBL8568262 0.77 ALDH1A1 (0.74) ALDH1A1TDP1MAPK8KMT2AGAA
SCHEMBL10699924 0.74 ALDH1A1 (0.45) ALDH1A1L3MBTL1TDP1PKMKMT2A
SCHEMBL351842 0.73 ITGB1 (0.40) ALDH1A1L3MBTL1GAAKDM4E
SCHEMBL10666285 0.72 KMT2A (0.45) ALDH1A1L3MBTL1TDP1KMT2AMAPT
SCHEMBL18681347 0.71 BRAF (0.70) GCKBRAFKDR
SCHEMBL7454922 0.70 ALDH1A1 (0.40) ALDH1A1KMT2AGAAMAPTKDM4E
SCHEMBL20704159 0.70 MEN1 (0.44) ALDH1A1L3MBTL1TDP1MAPK8KMT2A
SCHEMBL11472877 0.70 KDM4E (0.51) L3MBTL1TDP1KMT2AKDM4EHTT

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-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US claimed