SCHEMBL8942103

SCHEMBL8942103

CCNC1CN(c2cc3nc4c(cc3cc2F)c(=O)c(C(=O)O)cn4C(C)(C)C)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.38
CYP2C9 P11712 1/20 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
ALDH1A1 P00352 7/20 0.38
KDM4E B2RXH2 6/20 0.38
HPGD P15428 5/20 0.38
HSD17B10 Q99714 5/20 0.38
HTT P42858 3/20 0.38
POLB P06746 1/20 0.38
XBP1 P17861 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
DRD3 P35462 1/20 0.37
MAPT P10636 1/20 0.37
EPHA2 P29317 1/20 0.37
FLT4 P35916 1/20 0.37

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
SCHEMBL8942267 0.92 ALDH1A1 (0.37) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8941882 0.92 ALDH1A1 (0.38) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942082 0.90 TOP1 (0.41) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8941920 0.89 KMT2A (0.38) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942032 0.89 DRD3 (0.41) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Water SCHEMBL8942061 0.88 DRD3 (0.40) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8941913 0.88 LMNA (0.51) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8941949 0.87 TOP1 (0.39) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942226 0.87 KMT2A (0.46) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8942126 0.86 KDM4E (0.49) LMNACYP2C9ALDH1A1KDM4EHPGD

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