SCHEMBL6101862

SCHEMBL6101862

NC(=O)C(c1ccccc1)c1cccc(C#Cc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HNF4A P41235 1/20 0.42
▸ FFAR1 O14842 4/20 0.41
▸ CTSD P07339 1/20 0.41
▸ APP P05067 1/20 0.40
▸ ASIC3 Q9UHC3 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ PTGES O14684 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38

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
SCHEMBL20490501 0.81 HDAC4 (0.66) PTPN11CTSDHDAC3HDAC4HDAC1
SCHEMBL741751 0.80 MEN1 (0.58) MEN1KMT2ACTSDTDP1L3MBTL1
Hydrochloric Acid SCHEMBL8550499 0.78 MEN1 (0.56) MEN1KMT2ACTSDTDP1L3MBTL1
SCHEMBL6098736 0.77 RXRA (0.47) MEN1KMT2ACTSDTDP1L3MBTL1
Diphenylacetic Acid SCHEMBL30467539 0.76 APP (0.52) NPC1RAB9AFFAR1CTSDAPP
SCHEMBL17450483 0.74 APP (0.50) PTPN11CA12CA1CA2CA9
Acetic Acid SCHEMBL9853044 0.74 MEN1 (0.53) MEN1KMT2ACTSDTDP1L3MBTL1
SCHEMBL5806814 0.74 NPC1 (0.43) NPC1RAB9AFFAR1CTSDAPP
SCHEMBL4543120 0.73 CYP2D6 (0.47) PTPN11CA12CA1CA2CA9
SCHEMBL6100230 0.73 EPHX1 (0.49) MEN1KMT2AFFAR1CTSD

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
US-7084176-B2 N-arylphenylacetamide derivatives and medicinal compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2006-08-01 — — US disclosed
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