SCHEMBL5510015

SCHEMBL5510015

Nc1ccc(F)c2c(N)c(F)c(F)cc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL27493965 0.85 ALDH1A1 (0.38) ALDH1A1CA12CA1CA2CA4
SCHEMBL5509893 0.80 HSD17B1 (0.35) ALDH1A1CA6CA5ACA9CA14
SCHEMBL5508727 0.76 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5506962 0.76 ALDH1A1 (0.36) ALDH1A1
SCHEMBL5513119 0.72 ALDH1A1 (0.43) ALDH1A1CA12CA1CA2CA4
SCHEMBL27559337 0.72 ALDH1A1 (0.48) ALDH1A1CA12CA1CA2CA4
SCHEMBL5515482 0.71 CA12 (0.35) ALDH1A1CA12CA1CA2CA7
SCHEMBL27525538 0.71 ALDH1A1 (0.36) ALDH1A1
SCHEMBL5517966 0.71 ALDH1A1 (0.48) ALDH1A1
SCHEMBL5507490 0.70 ALDH1A1 (0.30) ALDH1A1

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