SCHEMBL8941996

SCHEMBL8941996

CCNC1CN(c2c(F)cc3cc4c(=O)c(C(=O)O)cn(NC)c4nc3c2F)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 4/20 0.40
HPGD P15428 3/20 0.40
PMP22 Q01453 1/20 0.39
LMNA P02545 3/20 0.38
CYP2C9 P11712 2/20 0.38
ATP6V1B2 P21281 1/20 0.38
TBXA2R P21731 1/20 0.38
EDNRA P25101 1/20 0.38
TARBP2 Q15633 1/20 0.38
CYP3A4 P08684 1/20 0.36
KCNH2 Q12809 2/20 0.35
TOP1 P11387 2/20 0.35
POLB P06746 1/20 0.34
XBP1 P17861 1/20 0.34
NFKB1 P19838 1/20 0.34
HTT P42858 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 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
SCHEMBL8942040 0.92 KDM4E (0.38) KDM4EALDH1A1HSD17B10HPGDPMP22
SCHEMBL8942060 0.92 KDM4E (0.37) KDM4EALDH1A1HSD17B10HPGDPMP22
SCHEMBL8942009 0.91 KDM4E (0.38) KDM4EALDH1A1HSD17B10HPGDPMP22
SCHEMBL8942201 0.90 KDM4E (0.41) KDM4EALDH1A1HSD17B10HPGDPMP22
SCHEMBL8942285 0.89 KDM4E (0.37) KDM4EALDH1A1HSD17B10HPGDPMP22
SCHEMBL8942063 0.89 LMNA (0.50) KDM4EALDH1A1HSD17B10HPGDPMP22
SCHEMBL8942390 0.87 DPP4 (0.47) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL8941949 0.83 TOP1 (0.39) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL8942326 0.83 TOP1 (0.37) KDM4EALDH1A1HSD17B10HPGDPMP22
SCHEMBL8942023 0.82 LMNA (0.51) KDM4EALDH1A1HSD17B10HPGDPMP22

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