SCHEMBL23328197

SCHEMBL23328197

Cn1nc(C(F)(F)F)c(I)c1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
LMNA P02545 4/20 0.33
KMT2A Q03164 1/20 0.33
MPO P05164 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 3/20 0.31
HTT P42858 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
NPC1 O15118 1/20 0.30
PKM P14618 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL21719705 0.83
SCHEMBL9429829 0.78 POLB (0.36) POLBLMNAKMT2ANPC1PKM
SCHEMBL13551126 0.77 KMT2A (0.40) POLBLMNAKMT2ASMN1; SMN2MAPT
SCHEMBL12160719 0.76 POLB (0.37) POLBLMNAKMT2AMPOSMN1; SMN2
SCHEMBL21720954 0.75
SCHEMBL18116896 0.74 POLB (0.43) POLBLMNAKMT2AMPOSMN1; SMN2
SCHEMBL24677367 0.74 ESR1 (0.30)
SCHEMBL24677207 0.74 POLB (0.37) POLBLMNAKMT2ASMN1; SMN2L3MBTL1
SCHEMBL24677205 0.74 BRD9 (0.30)
SCHEMBL12546378 0.72 POLB (0.35) POLBLMNAKMT2AMPOSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4052576-A1 AMIDE COMPOUND CONTAINING SUBSTITUTED ACETOPHENONE STRUCTURE FRAGMENT, PREPARATION METHOD THEREFOR AND USE THEREOF Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2022-09-07 EP disclosed
WO-2021082997-A1 AMIDE COMPOUND CONTAINING SUBSTITUTED ACETOPHENONE STRUCTURE FRAGMENT, PREPARATION METHOD THEREFOR AND USE THEREOF 沈阳中化农药化工研发有限公司 2021-05-06 WO disclosed