SCHEMBL8941953

SCHEMBL8941953

CCOC(=O)c1cn(C2CC2)c2nc3cc(N4CC(N(C)C)C4)c(F)cc3cc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.45
KDM4E B2RXH2 6/20 0.42
HSD17B10 Q99714 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.42
DPP4 P27487 6/20 0.40
CHRM2 P08172 1/20 0.40
DRD1 P21728 1/20 0.40
LMNA P02545 3/20 0.39
MAPT P10636 1/20 0.39
ABCC4 O15439 1/20 0.38
CYP1A2 P05177 1/20 0.35
TOP2A P11388 1/20 0.35
CYP2C9 P11712 1/20 0.35
TOP2B Q02880 1/20 0.35
KMT2A Q03164 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
SCHEMBL8941959 0.91 ADRB2 (0.43) ADRB2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL8942157 0.89 KDM4E (0.44) ADRB2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL8942125 0.88 ALDH1A1 (0.51) KDM4EHSD17B10ALDH1A1HPGDLMNA
SCHEMBL8942140 0.88 DPP4 (0.48) KDM4EHSD17B10ALDH1A1HPGDDPP4
SCHEMBL9775910 0.87 ALDH1A1 (0.46) ADRB2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL8942057 0.86 ADRB2 (0.49) ADRB2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL8942248 0.83 ADRB2 (0.41) ADRB2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL8942250 0.83 ADRB2 (0.41) ADRB2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL8942242 0.83 ADRB2 (0.41) ADRB2KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL7231247 0.83 ADRB2 (0.46) ADRB2KDM4EHSD17B10ALDH1A1HPGD

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