SCHEMBL6494499

SCHEMBL6494499

Cc1cc(C)n(-c2cc(F)c(C#N)cc2F)n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
GAA P10253 2/20 0.45
TSHR P16473 2/20 0.42
TRPV4 Q9HBA0 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
SLC34A1 Q06495 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
USP14 P54578 1/20 0.34
KCNN3 Q9UGI6 1/20 0.33

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
SCHEMBL5844583 0.80 KDM4E (0.40) KDM4ETRPV4ALDH1A1CYP11B1CYP11B2
SCHEMBL10431359 0.78 TSHR (0.53) KDM4EGAATSHRMAPTALDH1A1
SCHEMBL29171081 0.77 KDM4E (0.54) KDM4EGAATSHRMAPTALDH1A1
SCHEMBL2661807 0.77 KDM4E (0.54) KDM4EMAPTALDH1A1NPSR1TDP1
SCHEMBL6503760 0.75 AR (0.40) TRPV4MAPTALDH1A1SLC34A1
SCHEMBL6506928 0.74 TRPV4 (0.36) KDM4EGAATRPV4ALDH1A1USP14
SCHEMBL23245429 0.73 TRPV4 (0.44) KDM4EGAATRPV4MAPTALDH1A1
SCHEMBL12877149 0.72 TSHR (0.59) KDM4EGAATSHRMAPTALDH1A1
SCHEMBL6729831 0.72 EGLN2 (0.39) KDM4ETRPV4ALDH1A1HTTUSP14
SCHEMBL6500898 0.72 SLC34A1 (0.36) KDM4EGAATRPV4MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2184675-A None JP disclosed
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-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
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-0382034-A1 N-aryl-nitrogenated heterocycles BAYER AG (DE) 1990-08-16 EP disclosed
JP-H02184675-A N-ARYL-SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLE, PRODUCTION THEREOF, NOVEL INTERMEDIATE FOR THE HETEROCYCLE AND THEIR USE AS HERBICIDE AND PLANT GROWTH REGULATOR BAYER AG 1990-07-19 JP 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