SCHEMBL14645992

SCHEMBL14645992

Cc1c(N)c(C(=O)O)cc(Br)c1CCCCCCc1c(Br)cc(C(=O)O)c(N)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR35 Q9HC97 4/20 0.38
GLA P06280 1/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
KAT8 Q9H7Z6 2/20 0.35
PPARA Q07869 2/20 0.35
RARB P10826 1/20 0.35
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34

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
SCHEMBL19244712 0.93 KDM4E (0.44) KDM4EMEN1KMT2ATDP1GLA
SCHEMBL13917234 0.79 KDM4E (0.50) KDM4EMEN1KMT2ATDP1GLA
SCHEMBL1291691 0.74 KDM4E (0.48) KDM4EMEN1KMT2ATDP1GPR35
SCHEMBL14645997 0.74 ALDH1A1 (0.43) KDM4ETSHRHSD17B10KAT8PPARA
SCHEMBL14645957 0.74 ALDH1A1 (0.43) KDM4ETSHRHSD17B10KAT8PPARA
SCHEMBL14645817 0.73 KDM4E (0.42) KDM4EMEN1KMT2ATDP1HSD17B10
SCHEMBL9273458 0.73 KDM4E (0.47) KDM4EMEN1KMT2ATDP1GPR35
SCHEMBL27968705 0.72 ALDH1A1 (0.35) MEN1KMT2APPARG
SCHEMBL578085 0.72 RARB (0.48) KDM4EKAT8PPARARARBGABRP
SCHEMBL30061109 0.72 RARB (0.48) KDM4EKAT8PPARARARBGABRP

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-2729444-B1 METHOD FOR MANUFACTURING 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE BAYER IP GMBH (DE) 2017-08-23 EP disclosed
EP-2729444-A1 METHOD FOR THE PRODUCTION OF 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE Bayer Intellectual Property GmbH (DE) 2014-05-14 EP disclosed
WO-2013007603-A1 METHOD FOR THE PRODUCTION OF 2-AMINO-5-CYANO-N,3-DIMETHYLBENZAMIDE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-17 WO disclosed