SCHEMBL27477446

SCHEMBL27477446

COc1cc(F)cc(N)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ G6PD P11413 1/20 0.40
▸ ALDH1A1 P00352 7/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ADRA2B P18089 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ TUBB4A P04350 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
SCHEMBL1813756 0.78 SCN9A (0.38) GAANPC1RAB9ASMN1; SMN2TUBB1
SCHEMBL10945773 0.78 GAA (0.48) GAANPC1G6PDALDH1A1CYP3A4
SCHEMBL16052950 0.78 MAPT (0.42) GAANPC1ALDH1A1CYP3A4TDP1
SCHEMBL2669934 0.77 FFAR4 (0.38) GAANPC1ALDH1A1CYP3A4TSHR
SCHEMBL17736226 0.77 ALDH1A1 (0.52) GAANPC1G6PDALDH1A1CYP3A4
SCHEMBL1911832 0.77 ALDH1A1 (0.50) GAANPC1G6PDALDH1A1CYP3A4
SCHEMBL1462101 0.77 GAA (0.40) GAAALDH1A1CYP3A4TDP1TSHR
SCHEMBL10948454 0.76 NPC1 (0.56) GAANPC1G6PDALDH1A1CYP3A4
SCHEMBL16659617 0.75 CYP3A4 (0.50) GAANPC1G6PDALDH1A1CYP3A4
SCHEMBL20022344 0.75 ALOX5 (0.41) GAAALDH1A1CYP3A4TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1219769-C New process for preparing quinolone-carboxylic acid DALIAN LYNCHEM CO LTD (CN) 2005-09-21 — — CN disclosed
CN-1158238-C Haloacetophenone derivative and its synthesis process 大连绿源新化学药业股份有限公司 2004-07-21 — — CN disclosed
CN-1320591-A Haloacetophenone derivative and its synthesis process LUYUAN INDUSTRY CO LTD DALIAN (CN) 2001-11-07 — — CN disclosed
CN-1310163-A 2,4-dichloro-5-fluoro-3-methoxy acetophenone and its preparation DALIAN LUYUAN INDUSTRY CO LTD (CN) 2001-08-29 — — CN disclosed
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