SCHEMBL6627007

SCHEMBL6627007

O=C(O)c1c(N2CCCCC2)c2ccccc2[nH]c1=O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
ALDH1A1 P00352 1/20 0.68
PADI4 Q9UM07 2/20 0.60
KDM4E B2RXH2 4/20 0.59
TDP1 Q9NUW8 1/20 0.59
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NLRP3 Q96P20 1/20 0.42
GAA P10253 1/20 0.42
MTHFD2 P13995 1/20 0.42

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
SCHEMBL10572503 0.88 KDM4E (0.57) MEN1KMT2AALDH1A1PADI4KDM4E
SCHEMBL29611901 0.88 KMT2A (0.70) MEN1KMT2AALDH1A1PADI4KDM4E
SCHEMBL19952910 0.88 KMT2A (0.70) MEN1KMT2AALDH1A1PADI4KDM4E
SCHEMBL9738879 0.77 KDM4E (0.51) MEN1KMT2AALDH1A1PADI4KDM4E
SCHEMBL29612327 0.76 PADI4 (1.00) MEN1KMT2AALDH1A1PADI4
SCHEMBL19953012 0.76 PADI4 (1.00) MEN1KMT2AALDH1A1PADI4
SCHEMBL8540248 0.76 KDM4E (0.47) MEN1KMT2AALDH1A1PADI4KDM4E
SCHEMBL3985154 0.76 KDM4E (0.74) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL29415434 0.75 KDM4E (1.00) MEN1KMT2AALDH1A1KDM4ETDP1
SCHEMBL2805779 0.75 KDM4E (1.00) MEN1KMT2AALDH1A1KDM4ETDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392677-A2 CHIRAL BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS Wockhardt Limited (IN) 2004-03-03 EP disclosed
WO-2002085886-A2 CHIRAL, BROAD-SPECTRUM ANTIBACTERIAL 7-SUBSTITUTED PIPERIDINO-QUINOLONE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS WOCKHARDT LIMITED (IN) 2002-10-31 WO disclosed