SCHEMBL3340745

SCHEMBL3340745

CCCOc1cc(N)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
TP53 P04637 2/20 0.50
HTT P42858 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41

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
SCHEMBL4101483 0.90 TSHR (0.46) MAPTTP53HTTKDM4EMEN1
SCHEMBL2144434 0.84 LOXL2 (0.43) MAPTTP53HTTKDM4EMEN1
SCHEMBL171947 0.83 TP53 (0.48) MAPTTP53KDM4EMEN1ALDH1A1
SCHEMBL23462840 0.82 ASIC3 (0.40) MAPTTP53HTTKDM4EMEN1
SCHEMBL27854114 0.82 LOXL2 (0.38) MAPTTP53HTTKDM4EMEN1
SCHEMBL16265338 0.82 LOXL2 (0.42) MAPTTP53HTTKDM4EMEN1
SCHEMBL19782767 0.82 LOXL2 (0.38) MAPTTP53HTTKDM4EMEN1
SCHEMBL5323724 0.82 LOX (0.42) ACACBTSHRLOXLOXL2NOS3
SCHEMBL129040 0.80 CRHR1 (0.46) MAPTHTTKDM4EMEN1ALDH1A1
SCHEMBL940535 0.79 HTR7 (0.46) MAPT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589592-B1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM CORP (JP) 2018-08-22 EP disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed
CN-102958918-B Novel tobacco amide derivatives or its salt FUJIFILM CORP. (JP) 2015-12-09 CN disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8895585-B2 Nicotinamide derivative or salt thereof FUJIFILM CORPORATION (JP) 2014-11-25 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8809371-B2 2014-08-19 US disclosed
US-8772320-B2 2014-07-08 US disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
EP-2589592-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF FUJIFILM Corporation (JP) 2013-05-08 EP disclosed
CN-102958918-A Novel nicotinamide derivatives or salts thereof FUJIFILM CORP 2013-03-06 CN disclosed
WO-2012002577-A1 NOVEL NICOTINAMIDE DERIVATIVES OR SALTS THEREOF 富士フイルム株式会社 (JP) 2012-01-05 WO disclosed
EP-0243450-B1 PYRIDINYLUREA COMPOUNDS AND AGRICULTURAL USES FMC Corporation (US) 1993-04-28 EP disclosed
EP-0243450-A4 PYRIDINYLUREA COMPOUNDS AND AGRICULTURAL USES. FMC CORP (US) 1989-09-11 EP disclosed
US-4818271-A PLANT GROWTH REGULATORS FMC CORPORATION (US) 1989-04-04 US disclosed
EP-0243450-A1 PYRIDINYLUREA COMPOUNDS AND AGRICULTURAL USES. FMC CORP (US) 1987-11-04 EP disclosed
CN-86107258-A Pyridyl carbamide compound and on agricultural, using 1987-05-27 CN disclosed
WO-1987002665-A1 PYRIDINYLUREA COMPOUNDS AND AGRICULTURAL USES FMC CORPORATION (US) 1987-05-07 WO disclosed