SCHEMBL8942201

SCHEMBL8942201

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.41
HPGD P15428 6/20 0.41
ALDH1A1 P00352 6/20 0.41
HSD17B10 Q99714 5/20 0.41
PMP22 Q01453 1/20 0.40
CYP2C9 P11712 2/20 0.39
LMNA P02545 2/20 0.39
ATP6V1B2 P21281 1/20 0.39
TBXA2R P21731 1/20 0.39
EDNRA P25101 1/20 0.39
TARBP2 Q15633 1/20 0.39
KCNH2 Q12809 1/20 0.38
CYP3A4 P08684 1/20 0.35
POLB P06746 1/20 0.35
XBP1 P17861 1/20 0.35
NFKB1 P19838 1/20 0.35
HTT P42858 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ADRA2B P18089 1/20 0.35

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
SCHEMBL8942076 0.91 KDM4E (0.41) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL8942063 0.90 LMNA (0.50) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL8941910 0.90 KDM4E (0.40) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL8941996 0.90 KDM4E (0.40) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL8942390 0.89 DPP4 (0.47) KDM4EHPGDALDH1A1HSD17B10LMNA
SCHEMBL8942075 0.88 KDM4E (0.39) KDM4EHPGDALDH1A1HSD17B10PMP22
SCHEMBL8942032 0.83 DRD3 (0.41) KDM4EHPGDALDH1A1HSD17B10CYP2C9
SCHEMBL8942091 0.83 KDM4E (0.38) KDM4EHPGDALDH1A1HSD17B10PMP22
Water SCHEMBL8942061 0.82 DRD3 (0.40) KDM4EHPGDALDH1A1HSD17B10CYP2C9
SCHEMBL8942023 0.82 LMNA (0.51) KDM4EHPGDALDH1A1HSD17B10PMP22

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