SCHEMBL11294809

SCHEMBL11294809

CC(C)(C)c1cc(N)c(O)c(C(=O)c2ccc(F)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
SIRT1 Q96EB6 1/20 0.41
GAA P10253 3/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39
SRD5A2 P31213 1/20 0.38
NPC1 O15118 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL11297259 0.86 POLB (0.45) TDP1SIRT1GAAPOLBMAPT
SCHEMBL11296539 0.85 MAPT (0.49) TDP1GAAPOLBMAPTMEN1
Hydrochloric Acid SCHEMBL11289242 0.84 POLB (0.44) TDP1SIRT1GAAPOLBMAPT
Hydrochloric Acid SCHEMBL11288940 0.84 MAPT (0.47) TDP1GAAPOLBMAPTMEN1
SCHEMBL11291070 0.83 NPC1 (0.48) TDP1GAARXFP1MAPTMEN1
SCHEMBL11296742 0.83 TDP1 (0.43) TDP1SIRT1GAAPOLBMAPT
SCHEMBL11287507 0.83 GAA (0.47) TDP1SIRT1GAAMAPTALDH1A1
SCHEMBL11287005 0.82 HDAC1 (0.45) MAPTMEN1KMT2ANPC1MAPK1
SCHEMBL11319565 0.81 MAPT (0.48) TDP1GAAMAPTMEN1KMT2A
SCHEMBL11288662 0.81 KMT2A (0.37) GAAPOLBRXFP1MAPTMEN1

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
EP-0065874-A1 2-Aminophenol derivatives, methods for their preparation and composition containing the same ONO PHARMACEUTICAL CO., LTD. (JP) 1982-12-01 EP disclosed