SCHEMBL9524958

SCHEMBL9524958

COc1ccc(Nc2c(Cl)cccc2Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
MAPT P10636 7/20 0.59
RAB9A P51151 5/20 0.59
GAA P10253 5/20 0.59
KDM4E B2RXH2 2/20 0.59
THRB P10828 2/20 0.59
MAPK1 P28482 2/20 0.59
RECQL P46063 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
NPC1 O15118 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 2/20 0.51
KDM1A O60341 1/20 0.51
RAD52 P43351 1/20 0.51
GFER P55789 1/20 0.51
NR4A1 P22736 1/20 0.50
HTT P42858 2/20 0.48

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
SCHEMBL11538185 0.83 ALDH1A1 (0.56) ALDH1A1MAPTRAB9AGAANPC1
SCHEMBL22140743 0.81 MEN1 (0.67) MAPTRAB9AGAAMAPK1NPC1
SCHEMBL11712938 0.80 NR4A1 (0.59) ALDH1A1MAPTRAB9AGAAKDM4E
SCHEMBL22140747 0.80 KMT2A (0.51) ALDH1A1MAPTRAB9AGAAKDM4E
SCHEMBL4584836 0.79 MAPT (0.62) ALDH1A1MAPTRAB9AGAAKDM4E
SCHEMBL13809404 0.78 ALDH1A1 (1.00) ALDH1A1MAPTRAB9AGAAKDM4E
SCHEMBL1029577 0.78 HPGD (0.52) ALDH1A1MAPTRAB9AGAATDP1
SCHEMBL11587408 0.78 GAA (0.63) ALDH1A1MAPTGAARECQLTDP1
SCHEMBL16174783 0.78 MAPT (0.59) ALDH1A1MAPTRAB9AGAAKDM4E
SCHEMBL1459772 0.76 MAPT (1.00) ALDH1A1MAPTRAB9AGAAKDM4E

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
WO-2020127165-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-06-25 WO disclosed
EP-0523046-A1 2-ANILINO PHENYLACETIC ACID DERIVATIVES AS INHIBITORS OF PLA 2? AND LIPOXYGENASE AMERICAN HOME PRODUCTS CORPORATION (US) 1993-01-20 EP disclosed
US-5159085-A Antiinflammatory, antiallergens, cytoprotective agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-10-27 US disclosed
US-5021576-A Antiinflammatory, antiarthritic, hypotensive, anticarcinogenic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1991-06-04 US disclosed
WO-1991006539-A1 2-ANILINO PHENYLACETIC ACID DERIVATIVES AS INHIBITORS OF PLA2 AND LIPOXYGENASE AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-16 WO disclosed