SCHEMBL8942064

SCHEMBL8942064

CC(C)(C)n1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CC(NCCO)C4)c(F)c3nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.37
HSD17B10 Q99714 6/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 5/20 0.37
PMP22 Q01453 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 3/20 0.35
ATP6V1B2 P21281 1/20 0.35
TBXA2R P21731 1/20 0.35
EDNRA P25101 1/20 0.35
TARBP2 Q15633 1/20 0.35
POLB P06746 1/20 0.33
XBP1 P17861 1/20 0.33
NFKB1 P19838 1/20 0.33
HTT P42858 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
DPP4 P27487 3/20 0.33
EPHA2 P29317 1/20 0.33

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
SCHEMBL8942305 0.93 KDM4E (0.38) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL8942060 0.88 KDM4E (0.37) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL8942144 0.87 KDM4E (0.36) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL8942227 0.86 DPP4 (0.47) KDM4EHSD17B10ALDH1A1LMNAPOLB
SCHEMBL8941975 0.86 KDM4E (0.46) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL8942267 0.84 ALDH1A1 (0.37) KDM4EHSD17B10ALDH1A1HPGDCYP2C9
SCHEMBL8942076 0.82 KDM4E (0.41) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL8942040 0.81 KDM4E (0.38) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL8942201 0.80 KDM4E (0.41) KDM4EHSD17B10ALDH1A1HPGDPMP22
SCHEMBL8942324 0.80 LMNA (0.43) KDM4EHSD17B10ALDH1A1HPGDPMP22

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-5556861-A 1,8 benzonaphthyridine derivatives and antimicrobial compositions LABORATOIRE ROGER BELLON (FR) 1996-09-17 US disclosed