SCHEMBL8941908

SCHEMBL8941908

CNn1cc(C(=O)O)c(=O)c2cc3cc(F)c(N4CC(C)(N)C4)c(F)c3nc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
KCNH2 Q12809 2/20 0.36
LMNA P02545 2/20 0.35
CYP2C9 P11712 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
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
PMP22 Q01453 1/20 0.34
DPP4 P27487 2/20 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
SCHEMBL8941988 0.89 DPP4 (0.36) KDM4EKCNH2LMNACYP2C9ATP6V1B2
SCHEMBL8942010 0.88 KDM4E (0.41) KDM4EKCNH2LMNACYP2C9ATP6V1B2
SCHEMBL8941894 0.85 LMNA (0.52) KDM4EKCNH2LMNACYP2C9ATP6V1B2
SCHEMBL8942056 0.85 KDM4E (0.37) KDM4EKCNH2LMNACYP2C9ATP6V1B2
SCHEMBL8942245 0.85 DPP4 (0.49) KDM4EKCNH2LMNAHSD17B10ALDH1A1
SCHEMBL8942009 0.84 KDM4E (0.38) KDM4EKCNH2LMNACYP2C9ATP6V1B2
SCHEMBL8941986 0.83 ALDH1A1 (0.38) KDM4ELMNACYP2C9ATP6V1B2TBXA2R
SCHEMBL8942285 0.82 KDM4E (0.37) KDM4EKCNH2LMNACYP2C9ATP6V1B2
SCHEMBL8942040 0.82 KDM4E (0.38) KDM4EKCNH2LMNACYP2C9ATP6V1B2
SCHEMBL8941996 0.81 KDM4E (0.40) KDM4EKCNH2LMNACYP2C9ATP6V1B2

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