SCHEMBL8942056

SCHEMBL8942056

CC1(N)CN(c2c(F)cc3cc4c(=O)c(C(=O)O)cn(C(C)(C)C)c4nc3c2F)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
KCNH2 Q12809 2/20 0.36
CYP2C9 P11712 2/20 0.35
LMNA P02545 2/20 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
HPGD P15428 4/20 0.34
HSD17B10 Q99714 4/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 1/20 0.34
AADAT Q8N5Z0 2/20 0.34
TOP2A P11388 1/20 0.34
TOP2B Q02880 1/20 0.34
PMP22 Q01453 1/20 0.34
DPP4 P27487 2/20 0.34
EPHA2 P29317 1/20 0.33
FLT4 P35916 1/20 0.33
GSK3B P49841 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
SCHEMBL8942019 0.89 DPP4 (0.36) KDM4EKCNH2CYP2C9LMNAATP6V1B2
SCHEMBL8942010 0.88 KDM4E (0.41) KDM4EKCNH2CYP2C9LMNAATP6V1B2
SCHEMBL8941894 0.85 LMNA (0.52) KDM4EKCNH2CYP2C9LMNAATP6V1B2
SCHEMBL8941908 0.85 KDM4E (0.37) KDM4EKCNH2CYP2C9LMNAATP6V1B2
SCHEMBL8942245 0.85 DPP4 (0.49) KDM4EKCNH2LMNAHSD17B10ALDH1A1
SCHEMBL9776101 0.84 LMNA (0.50) KDM4ECYP2C9LMNAATP6V1B2TBXA2R
SCHEMBL9148063 0.83 LMNA (0.49) KDM4EKCNH2CYP2C9LMNAATP6V1B2
SCHEMBL9146211 0.83 KDM4E (0.48) KDM4EKCNH2LMNAHPGDHSD17B10
SCHEMBL8942165 0.83 EPHA2 (0.37) KDM4ECYP2C9LMNAATP6V1B2TBXA2R
SCHEMBL8942144 0.81 KDM4E (0.36) KDM4EKCNH2CYP2C9LMNAATP6V1B2

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