SCHEMBL7014803

SCHEMBL7014803

CN1CCN(c2cc3[nH]c(-c4ccc(O)cc4)c(C(=O)OCc4ccccc4)c(=O)c3cc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.52
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 3/20 0.40
LMNA P02545 3/20 0.40
KMT2A Q03164 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
MAPK10 P53779 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DRD3 P35462 1/20 0.39
TMEM97 Q5BJF2 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
HRH2 P25021 1/20 0.38

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
SCHEMBL7016620 0.90 KIF11 (0.42) KIF11ALDH1A1KDM4EHPGDMEN1
SCHEMBL7013585 0.86 KDM4E (0.42) KIF11ALDH1A1KDM4EHPGDMEN1
SCHEMBL7011748 0.82 ALOX5 (0.46) KIF11ALDH1A1KDM4EHPGDMEN1
SCHEMBL7020424 0.81 ALOX5 (0.46) KIF11ALDH1A1KDM4EHPGDMEN1
SCHEMBL7013967 0.77 PRKD3 (0.42) KIF11ALDH1A1KDM4EHPGDMEN1
SCHEMBL7149603 0.76 ALOX5 (0.43) KIF11ALDH1A1KDM4EHPGDMEN1
SCHEMBL7009049 0.76 ALDH1A1 (0.42) KIF11ALDH1A1KDM4EHPGDMEN1
SCHEMBL7015629 0.75 KDM4E (0.41) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL7010787 0.73 ALOX5 (0.56) ALDH1A1KDM4EHPGDMEN1LMNA
SCHEMBL11208613 0.72 GAA (0.47) ALDH1A1KDM4EHPGDMEN1KMT2A

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-1313708-A1 QUINOLINE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF CHIRON CORPORATION (US) 2003-05-28 EP disclosed
WO-2002018345-A1 QUINOLINE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF CHIRON CORPORATION (US) 2002-03-07 WO disclosed