SCHEMBL7005472

SCHEMBL7005472

CCCC[Sn](CCCC)(CCCC)c1nc2c(cc1F)c(=O)c(C(=O)OCC)cn2C1CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.49
DPP4 P27487 6/20 0.41
CHRM2 P08172 1/20 0.41
DRD1 P21728 1/20 0.41
KMT2A Q03164 1/20 0.40
TOP2A P11388 2/20 0.39
TOP2B Q02880 2/20 0.39
KDM4E B2RXH2 4/20 0.39
HSD17B10 Q99714 4/20 0.39
LMNA P02545 2/20 0.39
ABCC4 O15439 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
STAT3 P40763 1/20 0.37
MAPT P10636 1/20 0.37
AXL P30530 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
KCNH2 Q12809 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
SCHEMBL5809336 0.83 ADRB2 (0.53) ADRB2DPP4CHRM2DRD1KMT2A
SCHEMBL5422476 0.82 ADRB2 (0.51) ADRB2DPP4CHRM2DRD1KMT2A
SCHEMBL7008652 0.81 ADRB2 (0.50) ADRB2KMT2ATOP2ATOP2BKDM4E
SCHEMBL7015374 0.81 ADRB2 (0.56) ADRB2KMT2ATOP2ATOP2BKDM4E
SCHEMBL10412649 0.79 ADRB2 (0.49) ADRB2DPP4CHRM2DRD1KMT2A
SCHEMBL10472546 0.79 ADRB2 (0.49) ADRB2DPP4CHRM2DRD1KMT2A
SCHEMBL7010885 0.79 ADRB2 (0.54) ADRB2CHRM2KMT2ATOP2ATOP2B
SCHEMBL8942057 0.79 ADRB2 (0.49) ADRB2DPP4CHRM2DRD1KMT2A
SCHEMBL7009258 0.79 ADRB2 (0.53) ADRB2KMT2ATOP2ATOP2BKDM4E
SCHEMBL7230077 0.78 ADRB2 (0.50) ADRB2DPP4CHRM2DRD1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775702-B1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2003-07-23 EP disclosed
US-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0775702-A1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-05-28 EP disclosed