SCHEMBL5699142

SCHEMBL5699142

COC1(Nc2cccc(Br)c2OC(F)F)CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 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
SCHEMBL6648211 0.75
SCHEMBL5733178 0.75 ERBB2 (0.33) HTT
SCHEMBL1771083 0.72 MEN1 (0.36) MEN1HTTKMT2A
SCHEMBL5699196 0.72 HTR3E (0.41) MEN1HTTKMT2A
SCHEMBL5733263 0.68 ALDH1A1 (0.43) MEN1HTTKMT2A
SCHEMBL5699255 0.67 GAA (0.44)
SCHEMBL23043168 0.66 SCN9A (0.36) MEN1HTTKMT2A
SCHEMBL737295 0.64 MEN1 (0.32) MEN1HTTKMT2A
SCHEMBL5699178 0.64 SCN9A (0.33) MEN1HTTKMT2A
SCHEMBL30079497 0.64 SCN9A (0.33) MEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362843-B1 N-cyclopropyl-2-difluoromethoxy-3-bromoaniline and intermediate used for production thereof IHARA CHEMICAL IND CO (JP) 2006-06-14 EP disclosed
EP-1031555-B1 DIFLUOROMETHOXYBENZENE DERIVATIVES AND THEIR USE AS INTERMEDIATES IHARA CHEMICAL IND CO (JP) 2005-04-13 EP disclosed
EP-1362843-A2 N-cyclopropyl-2-difluoromethoxy-3-halogenoaniline and intermediate used for production thereof Ihara Chemical Industry Co., Ltd. (JP) 2003-11-19 EP disclosed
US-6316658-B1 QUINOLONE CARBOXYLATE CHEMICAL INTERMEDIATES; MICROBIOCIDES, BACTERICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2001-11-13 US disclosed
EP-1031555-A1 N-CYCLOPROPYL-2-DIFLUOROMETHOXY-3-HALOGENOANILINES AND INTERMEDIATES FOR THE PREPARATION THEREOF IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2000-08-30 EP disclosed