SCHEMBL8942053

SCHEMBL8942053

O=C(O)c1cn(CCF)c2nc3c(F)c(N4CC(NC5CC5)C4)c(F)cc3cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 3/20 0.40
CYP2C9 P11712 2/20 0.40
ATP6V1B2 P21281 1/20 0.40
TBXA2R P21731 1/20 0.40
EDNRA P25101 1/20 0.40
TARBP2 Q15633 1/20 0.40
PMP22 Q01453 1/20 0.39
DPP4 P27487 4/20 0.37
KCNH2 Q12809 1/20 0.37
TOP1 P11387 3/20 0.36
CHRM2 P08172 1/20 0.35
DRD1 P21728 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.34
ABCC4 O15439 1/20 0.34

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
SCHEMBL8942052 0.91 LMNA (0.49) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL8942298 0.90 KDM4E (0.50) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL8942180 0.89 KDM4E (0.47) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL8942075 0.89 KDM4E (0.39) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL8941975 0.88 KDM4E (0.46) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL8942285 0.85 KDM4E (0.37) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL8942144 0.84 KDM4E (0.36) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL8942266 0.84 KDM4E (0.42) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL8941921 0.83 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL8942023 0.82 LMNA (0.51) KDM4EALDH1A1HSD17B10HPGDLMNA

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