SCHEMBL9738879

SCHEMBL9738879

NC1CCCN1c1c(C(=O)O)c(=O)[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
TDP1 Q9NUW8 1/20 0.51
PADI4 Q9UM07 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7214494 0.79 KDM4E (0.43) KDM4ETDP1PADI4ALDH1A1NPC1
SCHEMBL6627007 0.77 MEN1 (0.68) KDM4ETDP1PADI4MEN1KMT2A
SCHEMBL10572503 0.74 KDM4E (0.57) KDM4ETDP1PADI4MEN1KMT2A
SCHEMBL8540248 0.73 KDM4E (0.47) KDM4ETDP1PADI4MEN1KMT2A
SCHEMBL10738884 0.70 KDM4E (0.64) KDM4ETDP1PADI4MEN1KMT2A
SCHEMBL29415434 0.70 KDM4E (1.00) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL2805779 0.70 KDM4E (1.00) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL1620204 0.69 KDM4E (0.72) KDM4ETDP1MEN1KMT2AALDH1A1
SCHEMBL7811680 0.68 KDM4E (0.70) KDM4ETDP1PADI4ALDH1A1HPGD
SCHEMBL31298181 0.67 KDM4E (0.74) 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-5099032-A Aminopyrroles formed from hydroxypyrroles by displacement ABBOTT LABORATORIES (US) 1992-03-24 US disclosed