SCHEMBL14679397

SCHEMBL14679397

Cc1ccc(CC(=O)NCCCCN)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.71
MAPT P10636 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 6/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 2/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
LMNA P02545 1/20 0.53
EPHX2 P34913 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.50
TRPV1 Q8NER1 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49

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
SCHEMBL9177806 0.98 HPGD (0.69) HPGDMAPTL3MBTL1KMT2AMEN1
SCHEMBL14679436 0.95 HPGD (0.73) HPGDMAPTL3MBTL1KMT2AMEN1
SCHEMBL14679435 0.88 HPGD (0.68) HPGDMAPTL3MBTL1KMT2AMEN1
SCHEMBL21391252 0.88 HPGD (0.83) HPGDMAPTL3MBTL1KMT2AMEN1
SCHEMBL10170678 0.83 HPGD (1.00) HPGDMAPTL3MBTL1KMT2AMEN1
SCHEMBL11966138 0.83 HPGD (0.55) HPGDMAPTKMT2AALDH1A1LMNA
SCHEMBL29023569 0.83 HDAC3 (0.56) HPGDL3MBTL1KMT2ALMNAPOLB
SCHEMBL19102882 0.82 HPGD (0.59) HPGDL3MBTL1KMT2AALDH1A1RAB9A
SCHEMBL14817909 0.82 HPGD (0.73) HPGDMAPTL3MBTL1KMT2AMEN1
SCHEMBL14679158 0.82 NPC1 (0.53) HPGDL3MBTL1KMT2AMEN1ALDH1A1

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-8367668-B2 Pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-05 US disclosed