SCHEMBL5513879

SCHEMBL5513879

Nc1cc(F)cc2c(N)c(F)ccc12

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HPRT1 P00492 1/20 0.36
CYP1A1 P04798 1/20 0.31
HDAC1 Q13547 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
SCHEMBL5507627 0.79 PKM (0.37) ALDH1A1HPRT1HDAC1
SCHEMBL5506924 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL5513036 0.75 IDO1 (0.33) ALDH1A1HPRT1
SCHEMBL5507531 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL20961536 0.74 ALDH1A1 (0.44) ALDH1A1HPRT1HDAC1
SCHEMBL4252503 0.74 HPRT1 (0.50) ALDH1A1HPRT1
SCHEMBL5507490 0.71 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5511733 0.71 ALDH1A1 (0.59) ALDH1A1HPRT1
SCHEMBL5522917 0.71 ALDH1A1 (0.59) ALDH1A1
SCHEMBL5513119 0.70 ALDH1A1 (0.43) ALDH1A1CYP1A1HDAC1

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