SCHEMBL6650609

SCHEMBL6650609

Nc1ccc(F)c(F)c1OCF

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
ALDH1A1 P00352 1/20 0.32
KDM1A O60341 2/20 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
SCHEMBL8947859 0.85 PARP1 (0.35) KDM4EMAPTCRHBPCRHR2HTR2A
SCHEMBL6649379 0.82 L3MBTL1 (0.41) KDM4EMAPTHTR2AHTR2CHTR2B
SCHEMBL11084896 0.79 PARP1 (0.35)
SCHEMBL29025196 0.78 MAPT (0.40) KDM4EMAPTCRHBPCRHR2ALDH1A1
SCHEMBL10433956 0.77 HTR2C (0.43) HTR2AHTR2CHTR2BALDH1A1
SCHEMBL24180091 0.76 FEN1 (0.41) HTR2AHTR2CHTR2B
SCHEMBL3819931 0.74 LMNA (0.44) HTR2AHTR2B
SCHEMBL3819929 0.74 LMNA (0.44) HTR2AHTR2B
SCHEMBL1707536 0.74 ALOX5AP (0.37) KDM4EMAPTCRHBPCRHR2HTR2A
SCHEMBL29398924 0.74 ALOX5AP (0.37) KDM4EMAPTCRHBPCRHR2HTR2A

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-0990639-B1 PROCESS FOR PRODUCING N-CYCLOPROPYLANILINES AND INTERMEDIATES USED THEREFOR IHARA CHEMICAL IND CO (JP) 2004-02-25 EP disclosed
US-6162944-A Process for production of N-cyclopropylanilines and intermediates therefor IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2000-12-19 US disclosed
EP-0990639-A1 PROCESS FOR PRODUCING N-CYCLOPROPYLANILINES AND INTERMEDIATES USED THEREFOR IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2000-04-05 EP disclosed