SCHEMBL11559072

SCHEMBL11559072

[O]c1c(Cl)c(Cl)c2c(-c3ccccc3F)noc2c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.44
▸ HTR7 P34969 1/20 0.39
▸ GPBAR1 Q8TDU6 2/20 0.39
▸ NPC1 O15118 7/20 0.35
▸ RAB9A P51151 7/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ PKM P14618 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ EPAS1 Q99814 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL10661063 0.83 PTGS1 (0.41) PTGS1HTR7GPBAR1NPC1RAB9A
SCHEMBL11560907 0.82 PTGS1 (0.43) PTGS1HTR7GPBAR1NPC1RAB9A
SCHEMBL10657148 0.80 PTGS1 (0.41) PTGS1HTR7GPBAR1NPC1RAB9A
SCHEMBL11557039 0.79 PTGS1 (0.43) PTGS1HTR7GPBAR1NPC1RAB9A
SCHEMBL11559146 0.76 NPC1 (0.44) PTGS1HTR7GPBAR1NPC1RAB9A
SCHEMBL10730942 0.76 PTGS1 (0.36) PTGS1HTR7GPBAR1RAB9AMAPK1
SCHEMBL10655898 0.76 KMT2A (0.38) PTGS1GPBAR1NPC1RAB9AMAPK1
SCHEMBL11558673 0.75 PTGS1 (0.45) PTGS1HTR7GPBAR1NPC1RAB9A
SCHEMBL10729133 0.75 PTGS1 (0.36) PTGS1HTR7GPBAR1MAPK1HPGD
SCHEMBL11558759 0.72 NPC1 (0.46) PTGS1HTR7GPBAR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0002666-A1 1,2-Benzisoxazolyloxy (or thio) acetic acids and related compounds, process for their preparation and medicines containing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-11 — — EP disclosed
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