SCHEMBL27620083

SCHEMBL27620083

COc1ccccc1-c1cc(-c2cc(C(=O)O)n(CCN)n2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 1/20 0.61
▸ HSD11B1 P28845 1/20 0.41
▸ HDAC1 Q13547 3/20 0.40
▸ KDM1A O60341 2/20 0.40
▸ KDM4C Q9H3R0 2/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ FYN P06241 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MDM2 Q00987 1/20 0.39
▸ KDM4A O75164 1/20 0.39
▸ FABP3 P05413 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
SCHEMBL14188294 0.83 MAPKAPK2 (0.62) MAPKAPK2HDAC1FYNALDH1A1
SCHEMBL14188328 0.82 MAPKAPK2 (0.62) MAPKAPK2HDAC1KDM1AKDM4CHDAC6
Trifluoroacetic Acid SCHEMBL4714055 0.78 MAPKAPK2 (0.57) MAPKAPK2HDAC1ALDH1A1
SCHEMBL27639060 0.78 MAPKAPK2 (0.67) MAPKAPK2HDAC1KDM1AKDM4CHDAC6
Trifluoroacetic Acid SCHEMBL4791161 0.78 MAPKAPK2 (0.56) MAPKAPK2HDAC1KDM1AKDM4CHDAC6
SCHEMBL4712817 0.77 MAPKAPK2 (0.55) MAPKAPK2HDAC1KDM1AKDM4CHDAC6
SCHEMBL27620303 0.77 MAPKAPK2 (0.62) MAPKAPK2ALDH1A1
SCHEMBL14188284 0.76 MAPKAPK2 (0.64) MAPKAPK2HDAC1KDM4CHDAC6FYN
Hydrochloric Acid SCHEMBL4715203 0.76 MAPKAPK2 (0.54) MAPKAPK2HDAC1KDM1AKDM4CHDAC6
SCHEMBL14188371 0.76 MAPKAPK2 (1.00) MAPKAPK2HDAC1

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
CN-1747949-A Acyclic pyrazole compounds PHARMACIA CORP (US) 2006-03-15 — — CN disclosed
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