SCHEMBL27314734

SCHEMBL27314734

Cc1ccc(C)c(NCl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 2/20 0.54
▸ GAA P10253 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ HCRTR1 O43613 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41

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
SCHEMBL16850577 0.82 HPGD (0.43) RAPGEF4GAAALDH1A1HTTKDM4E
SCHEMBL13661819 0.81 GAA (0.57) RAPGEF4GAAALDH1A1HTTKDM4E
SCHEMBL11846092 0.80 RAPGEF4 (0.56) RAPGEF4GAAALDH1A1HTTTDP1
SCHEMBL9224102 0.79 GAA (0.65) RAPGEF4GAAALDH1A1HTTKDM4E
SCHEMBL29196035 0.79 RAPGEF4 (0.71) RAPGEF4GAAALDH1A1HTTKDM4E
SCHEMBL2092832 0.77 RAPGEF4 (0.56) RAPGEF4GAAALDH1A1HTTKDM4E
SCHEMBL30950200 0.76 ALDH1A1 (0.42) RAPGEF4ALDH1A1HTTMEN1KMT2A
SCHEMBL10882869 0.75 GAA (0.55) RAPGEF4GAAALDH1A1HTTKDM4E
SCHEMBL12451042 0.75 GAA (0.55) RAPGEF4GAAALDH1A1HTTKDM4E
SCHEMBL2092830 0.75 RAPGEF4 (0.54) RAPGEF4GAAALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1029958-C Malonic acid derivative applied to hold back plant growth UNION CARBIDE AGRICULT (US) 1995-10-11 — — CN disclosed
CN-87103552-A Adopt malonate derivative to improve crop yield — 1988-07-06 — — CN disclosed
CN-87103683-A Use of malonic acid derivatives for retarding plant growth — 1988-05-11 — — CN disclosed
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