SCHEMBL14679449

SCHEMBL14679449

CC(=O)NCC(=O)NCc1ccc(C)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.57
MEN1 O00255 4/20 0.57
ALDH1A1 P00352 2/20 0.57
NPC1 O15118 2/20 0.57
LMNA P02545 2/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
HPGD P15428 1/20 0.51
POLB P06746 3/20 0.50
KDM4E B2RXH2 1/20 0.50
APEX1 P27695 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL171709 0.87 KMT2A (0.66) KMT2AMEN1ALDH1A1NPC1LMNA
SCHEMBL7529131 0.84 GAA (0.59) KMT2AMEN1ALDH1A1LMNAHPGD
SCHEMBL14679398 0.84 CA1 (0.64) KMT2AMEN1ALDH1A1NPC1LMNA
SCHEMBL12840799 0.83 ALDH1A1 (0.51) KMT2AALDH1A1RAB9ACA1CA2
SCHEMBL25567577 0.81 KMT2A (0.60) KMT2AMEN1ALDH1A1NPC1LMNA
SCHEMBL12839912 0.81 TPSAB1 (0.52) KMT2AALDH1A1NPC1RAB9ACA12
SCHEMBL14617667 0.80 SMN1; SMN2 (0.81) KMT2AMEN1ALDH1A1NPC1LMNA
SCHEMBL14679426 0.80 MMP13 (0.54) ALDH1A1NPC1LMNARAB9ASMN1; SMN2
SCHEMBL13932527 0.79 KMT2A (0.83) KMT2AMEN1ALDH1A1NPC1LMNA
SCHEMBL660986 0.79 KMT2A (0.62) KMT2AMEN1ALDH1A1NPC1LMNA

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