SCHEMBL6500898

SCHEMBL6500898

Cc1c2c(nn1-c1cc(F)c(C#N)cc1F)CCCC2

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 1/20 0.36
TRPV4 Q9HBA0 1/20 0.34
TP53 P04637 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
USP14 P54578 1/20 0.33
EGLN2 Q96KS0 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
S1PR1 P21453 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
THRB P10828 1/20 0.31

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
SCHEMBL6503891 0.84 SLC34A1 (0.32) SLC34A1S1PR1
SCHEMBL11664985 0.77 LMNA (0.39) SLC34A1TP53MAPT
SCHEMBL10563884 0.76 SLC34A1 (0.36) SLC34A1
SCHEMBL10561933 0.75 SLC34A1 (0.35) SLC34A1
SCHEMBL7941448 0.75 SLC34A1 (0.38) SLC34A1ALDH1A1
SCHEMBL6503760 0.74 AR (0.40) SLC34A1TRPV4MAPTEGLN2ALDH1A1
SCHEMBL6494499 0.72 KDM4E (0.59) SLC34A1TRPV4GAAMAPTUSP14
SCHEMBL10564557 0.71 PPOX (0.49) GAAALDH1A1KDM4EPOLBS1PR1
SCHEMBL9820824 0.71 ALDH1A1 (0.38) SLC34A1MAPTSMN1; SMN2ALDH1A1
SCHEMBL10560134 0.70 PPOX (0.37) SLC34A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6906006-B1 N-arly-substituted nitrogen-containing heterocycles, processes and novel intermediates for their preparation, and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 2005-06-14 US disclosed
US-6395683-B1 CHEMICAL INTERMEDIATE FOR HERBICIDES; APPLYING TO PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2002-05-28 US disclosed
EP-0757673-B1 HETEROCYCLYLBENZONITRILES BAYER AG (DE) 2001-10-04 EP disclosed
US-6100420-A 2-(SULFONYLAMINO OR DERIVATIVE THEREOF),4-AMINO,5-(HALO OR HYDROGEN)BENZONITRILE OF GIVEN FORMULA; CHEMICAL INTERMEDIATE TO CORRESPONDING 4-HETEROCYCLE BENZONITRILE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-08-08 US disclosed
US-5858925-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-01-12 US disclosed
EP-0757673-A1 HETEROCYCLYLBENZONITRILES BAYER AG (DE) 1997-02-12 EP disclosed
US-5554580-A N-aryl-substituted nitrogen-containing heterocycles intermediates and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1996-09-10 US disclosed
WO-1995029158-A1 HETEROCYCLYLBENZONITRILES BAYER AKTIENGESELLSCHAFT (DE) 1995-11-02 WO disclosed
EP-0370332-B1 N-aryl-nitrogen heterocycles, process and intermediates for their production and their use as herbicides and in controlling the growth of plants BAYER AG (DE) 1994-03-30 EP disclosed
US-5006148-A N-aryl-substituted nitrogen-containing heterocycles, and their use as herbicides and plant growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed
EP-0370332-A1 N-aryl-nitrogen heterocycles, process and intermediates for their production and their use as herbicides and in controlling the growth of plants BAYER AG (DE) 1990-05-30 EP disclosed