SCHEMBL9528064

SCHEMBL9528064

Nc1cc(N)c(C(=O)OCc2ccccc2)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
LMNA P02545 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 4/20 0.46
PRKCZ Q05513 2/20 0.46
HSP90AA1 P07900 1/20 0.44
AKR1B1 P15121 1/20 0.44
EGFR P00533 1/20 0.43
RAB9A P51151 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
MAOB P27338 1/20 0.43
ADORA2A P29274 1/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL9741945 0.81 TDP1 (0.62) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL23812449 0.80 ALDH1A1 (0.58) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL1458194 0.79 KMT2A (0.53) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL27536802 0.78 ALDH1A1 (0.56) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL1165669 0.78 TDP1 (0.67) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL3919215 0.77 TDP1 (0.71) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL17652769 0.77 PRKCZ (0.57) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL12856431 0.76 TDP1 (0.68) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL4993714 0.76 TDP1 (0.68) TDP1LMNASLC6A2SLC6A3KMT2A
SCHEMBL23812473 0.76 TDP1 (0.61) TDP1LMNASLC6A2SLC6A3KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0366542-B1 5-SUBSTITUTED ORTHO-AMINOPHENOLS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE OXIDATION DYEING OF KERATINIC FIBRES L'OREAL (FR) 1993-07-14 EP disclosed
EP-0366542-A1 5-Substituted ortho-aminophenols, process for their preparation and their use in the oxidation dyeing of keratinic fibres L'OREAL (FR) 1990-05-02 EP disclosed