SCHEMBL11106926

SCHEMBL11106926

Nc1ccc(N2CC3CCCCC3C2)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 4/20 0.50
THRB P10828 3/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 3/20 0.50
GFER P55789 2/20 0.50
ALOX15 P16050 2/20 0.50
HSD17B10 Q99714 2/20 0.50
YWHAG P61981 1/20 0.50
HTT P42858 2/20 0.49
ALDH1A1 P00352 4/20 0.44
RECQL P46063 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 2/20 0.44
PKM P14618 2/20 0.44
POLB P06746 2/20 0.44
USP2 O75604 1/20 0.44
APEX1 P27695 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL11101742 0.87 KDM4E (0.56) MEN1KMT2AMAPTTHRBKDM4E
SCHEMBL11278156 0.85 MAPT (0.47) MEN1KMT2AMAPTTHRBKDM4E
SCHEMBL11275759 0.84 MYC (0.49) KDM4EHSD17B10HTTALDH1A1PKM
SCHEMBL11274927 0.82 LIPG (0.48) GAAHTTALDH1A1LIPGSMN1; SMN2
SCHEMBL11277428 0.82 CSNK2A1 (0.44) KDM4EGAAHTTALDH1A1TDP1
SCHEMBL11286093 0.82 MYC (0.50) MEN1KMT2AMAPTKDM4EHTT
SCHEMBL11100693 0.82 MYC (0.50) MAPTKDM4EHSD17B10ALDH1A1TDP1
SCHEMBL2336439 0.80 KDM4E (0.76) MEN1KMT2AMAPTTHRBKDM4E
SCHEMBL11108433 0.79 GAA (0.56) MEN1KMT2AMAPTTHRBKDM4E
SCHEMBL11100658 0.79 GAA (0.56) MEN1KMT2AMAPTTHRBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0063826-B1 2-AMINO-BENZOIC-ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS MEDICINES OR INTERMEDIATES Dr. Karl Thomae GmbH (DE) 1984-12-05 EP disclosed
EP-0023569-B1 DERIVATIVES OF CARBOXYLIC ACIDS, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1983-06-22 EP disclosed
EP-0063826-A2 2-Amino-benzoic-acid derivatives, their preparation and their use as medicines or intermediates Dr. Karl Thomae GmbH (DE) 1982-11-03 EP disclosed
EP-0056144-A1 Carboxylic acid derivatives, their preparation and use as pharmaceuticals Dr. Karl Thomae GmbH (DE) 1982-07-21 EP disclosed
EP-0023569-A1 Derivatives of carboxylic acids, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 EP disclosed