SCHEMBL7435071

SCHEMBL7435071

N#Cc1ccc(CC(=O)NCc2cc[c]cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERCC1 P07992 1/20 0.50
▸ ERCC4 Q92889 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ LMNA P02545 2/20 0.49
▸ CA12 O43570 2/20 0.48
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ CA7 P43166 2/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ PTPRZ1 P23471 1/20 0.46
▸ MAPK8 P45983 1/20 0.45
▸ HDAC3 O15379 1/20 0.44
▸ HDAC4 P56524 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44

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
SCHEMBL9271150 0.86 ERCC1 (0.54) ERCC1ERCC4ALDH1A1LMNACA12
SCHEMBL6391038 0.86 ALDH1A1 (0.67) ERCC1ERCC4ALDH1A1LMNACA12
SCHEMBL7879611 0.85 MEN1 (0.66) ERCC1ERCC4ALDH1A1LMNACA12
SCHEMBL2550437 0.81 ALDH1A1 (0.68) ERCC1ERCC4ALDH1A1LMNACA12
SCHEMBL28145302 0.80 EPHX2 (0.68) EPHX2KMT2AMEN1HDAC1HDAC2
SCHEMBL20932707 0.78 ERCC1 (0.49) ERCC1ERCC4ALDH1A1LMNACA12
SCHEMBL7934897 0.78 EPHX2 (0.52) ERCC1ERCC4ALDH1A1CA12CA1
SCHEMBL5315364 0.78 EPHX2 (0.52) ERCC1ERCC4ALDH1A1CA12CA1
SCHEMBL15630672 0.78 EPHX2 (0.52) ERCC1ERCC4ALDH1A1CA12CA1
SCHEMBL19049390 0.78 LOXL2 (0.56) ERCC1ERCC4CA12CA1CA2

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-0381033-A1 Carboxylic-acid and sulphonic-acid amides F. HOFFMANN-LA ROCHE AG (CH) 1990-08-08 — — EP disclosed
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