SCHEMBL8942032

SCHEMBL8942032

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.41
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 7/20 0.40
HPGD P15428 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 6/20 0.39
CYP2C9 P11712 1/20 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
HSD17B10 Q99714 5/20 0.39
HTT P42858 3/20 0.39
POLB P06746 1/20 0.39
XBP1 P17861 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
Water SCHEMBL8942061 0.99 DRD3 (0.40) DRD3KDM4EALDH1A1HPGDKMT2A
SCHEMBL8941931 0.91 ALDH1A1 (0.38) DRD3KDM4EALDH1A1HPGDKMT2A
SCHEMBL8942003 0.91 ALDH1A1 (0.40) DRD3KDM4EALDH1A1HPGDKMT2A
SCHEMBL8942178 0.90 ALDH1A1 (0.47) DRD3KDM4EALDH1A1HPGDKMT2A
SCHEMBL8941913 0.90 LMNA (0.51) DRD3KDM4EALDH1A1HPGDKMT2A
SCHEMBL8941982 0.90 TOP1 (0.43) DRD3KDM4EALDH1A1HPGDKMT2A
SCHEMBL8941993 0.90 KDM4E (0.42) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL8941949 0.89 TOP1 (0.39) DRD3KDM4EALDH1A1HPGDKMT2A
SCHEMBL8942126 0.89 KDM4E (0.49) KDM4EALDH1A1HPGDLMNACYP2C9
SCHEMBL8942103 0.89 LMNA (0.38) DRD3KDM4EALDH1A1HPGDKMT2A

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