SCHEMBL8540248

SCHEMBL8540248

CC(C)(N)C1CCN(c2c(C(=O)O)c(=O)[nH]c3ccccc23)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 2/20 0.46
PADI4 Q9UM07 5/20 0.40
NPC1 O15118 3/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MGLL Q99685 1/20 0.36

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
SCHEMBL6627007 0.76 MEN1 (0.68) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL10572503 0.75 KDM4E (0.57) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL9738879 0.73 KDM4E (0.51) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL2082993 0.70 KDM4E (0.37) KDM4EALDH1A1POLB
SCHEMBL14758853 0.70 KCNH2 (0.45)
SCHEMBL29611901 0.68 KMT2A (0.70) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL19952910 0.68 KMT2A (0.70) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL3985154 0.67 KDM4E (0.74) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL10738884 0.67 KDM4E (0.64) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL29415434 0.67 KDM4E (1.00) KDM4ETDP1MEN1KMT2AALDH1A1

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-5849757-A Pyridonecarboxylic acid derivatives substituted by a bicyclic amino group as antibacterials DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1998-12-15 US disclosed