SCHEMBL5515482

SCHEMBL5515482

Nc1c(F)c(F)cc2c(N)c(F)c(F)cc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA13 Q8N1Q1 1/20 0.35
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL5508448 0.85 CES2 (0.30) CES2CES1
SCHEMBL5507490 0.85 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5507531 0.83 ALDH1A1 (0.33) ALDH1A1CES2CES1
SCHEMBL461597 0.80 CA1 (0.43) CA12CA1CA2CA7CA13
SCHEMBL5517859 0.80
SCHEMBL5517966 0.77 ALDH1A1 (0.48) ALDH1A1LMNA
SCHEMBL859273 0.75 CA1 (0.40) CA12CA1CA2CA7CA13
Benzene SCHEMBL29240836 0.75 CA1 (0.40) CA12CA1CA2CA7CA13
SCHEMBL29690296 0.73 ALDH1A1 (0.36) CA12CA1CA2CA7CA13
SCHEMBL1462129 0.73 ALDH1A1 (0.36) CA12CA1CA2CA7CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208559-B2 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2007-04-24 US disclosed
US-20060135712-A1 Ethylened polymer and molded object obtained therefrom MITSUI CHEMICALS, INC. (JP) 2006-06-22 US disclosed