SCHEMBL28018546

SCHEMBL28018546

O=C(OCl)c1ccc(F)cc1F

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 3/20 0.61
▸ CES1 P23141 3/20 0.61
▸ RAB9A P51151 2/20 0.48
▸ MAPT P10636 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ GAA P10253 1/20 0.42

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
SCHEMBL30954392 0.85 CES2 (0.68) CES2CES1RAB9AMAPTL3MBTL1
SCHEMBL8359445 0.83 CES2 (0.65) CES2CES1RAB9AMAPTL3MBTL1
SCHEMBL5651048 0.83 CES2 (0.65) CES2CES1RAB9AMAPTL3MBTL1
SCHEMBL523258 0.80 CES2 (0.61) CES2CES1RAB9AMAPTL3MBTL1
SCHEMBL14012584 0.80 CES2 (0.61) CES2CES1RAB9AMAPTL3MBTL1
SCHEMBL24779498 0.80 CES2 (0.61) CES2CES1RAB9AMAPTL3MBTL1
SCHEMBL20551726 0.80 CES2 (0.61) CES2CES1RAB9AMAPTL3MBTL1
SCHEMBL6968044 0.80 CES2 (0.61) CES2CES1RAB9AMAPTL3MBTL1
SCHEMBL2831243 0.77 CES2 (0.57) CES2CES1RAB9AMAPTALDH1A1
SCHEMBL23421455 0.77 CES2 (0.57) CES2CES1RAB9AMAPTL3MBTL1

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
CN-107835805-A Substituted benzamides and methods of use thereof 基因泰克公司 2018-03-23 — — CN disclosed
CN-106278860-A A kind of synthetic method of 3 chlorine 2,4 difluoro-benzoic acids 常州工程职业技术学院 2017-01-04 — — CN disclosed
CN-106278860-A A kind of synthetic method of 3 chlorine 2,4 difluoro-benzoic acids 常州工程职业技术学院 2017-01-04 — — CN disclosed
CN-102887891-B N4-phenyl-quinazoline-4-sulfonamide derivatives and related compound ARRAY BIOPHARMA INC. (US) 2016-03-09 — — CN disclosed
CN-104718188-A N-substituted benzamides and their use in the treatment of pain GENENTECH INC 2015-06-17 — — CN disclosed
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