SCHEMBL6229677

SCHEMBL6229677

Cc1cc2c(C(=O)CN(CC(=O)O)C(=O)OC(C)(C)C)cccc2nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
MAPT P10636 5/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP2 O95551 1/20 0.36
NSD2 O96028 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
BLM P54132 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 2/20 0.34
BACE1 P56817 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
GBA1 P04062 1/20 0.31
NPC1 O15118 2/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL6231884 0.81 KDM4E (0.47) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL6231398 0.70 MGAM (0.44) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL20974387 0.69 LMNA (0.39) KDM4EMEN1KMT2AALDH1A1NPC1
SCHEMBL6226886 0.69 NPC1 (0.51) MAPTPKMMEN1KMT2AALDH1A1
SCHEMBL78691 0.68 CA14 (0.41) KDM4EMEN1KMT2ABLMHSD17B10
SCHEMBL6227192 0.67 EGLN1 (0.41) BACE1HDAC3HDAC1HDAC2NCOR2
SCHEMBL2834319 0.65 HDAC3 (0.55) RECQLALDH1A1BACE1HDAC3HDAC1
SCHEMBL7594665 0.64 HDAC3 (0.44) BACE1HDAC3HDAC1HDAC2NCOR2
SCHEMBL13021076 0.63 CTSL (0.54) RECQLMEN1KMT2AALDH1A1POLB
SCHEMBL6230849 0.63 CA12 (0.50) KDM4EMAPTMEN1KMT2AALDH1A1

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-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP disclosed