SCHEMBL8942093

SCHEMBL8942093

CCNC1(C)CN(c2cc3nc4c(cc3cc2F)c(=O)c(C(=O)O)cn4C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 6/20 0.40
HPGD P15428 5/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 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 0.38
HTT P42858 3/20 0.38
TSHR P16473 2/20 0.38
BRD4 O60885 1/20 0.38
CYP2J2 P51589 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.36

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
SCHEMBL8941985 0.90 ALDH1A1 (0.38) DRD3ALDH1A1KDM4EHPGDMEN1
SCHEMBL8942194 0.87 KMT2A (0.37) DRD3ALDH1A1KDM4EHPGDMEN1
SCHEMBL8941958 0.86 ALDH1A1 (0.39) DRD3ALDH1A1KDM4EHPGDMEN1
SCHEMBL8942146 0.86 ALDH1A1 (0.39) DRD3ALDH1A1KDM4EHPGDMEN1
SCHEMBL8942015 0.85 DRD3 (0.41) DRD3ALDH1A1KDM4EHPGDMEN1
SCHEMBL8941954 0.84 DRD3 (0.40) DRD3ALDH1A1KDM4EHPGDMEN1
SCHEMBL8942032 0.83 DRD3 (0.41) DRD3ALDH1A1KDM4EHPGDMEN1
Water SCHEMBL8942061 0.82 DRD3 (0.40) DRD3ALDH1A1KDM4EHPGDMEN1
SCHEMBL8942004 0.82 LMNA (0.51) DRD3ALDH1A1KDM4EHPGDMEN1
SCHEMBL9775938 0.81 ALDH1A1 (0.55) DRD3ALDH1A1KDM4EHPGDMEN1

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