SCHEMBL5517364

SCHEMBL5517364

Nc1ccc2c(F)c(N)c(F)cc2c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
MAPT P10636 2/20 0.31
CYP3A4 P08684 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TP53 P04637 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5513450 0.81 ESR1 (0.42) ALDH1A1CA9CA12CA6CA5A
SCHEMBL5511047 0.81 ALDH1A1 (0.39) ALDH1A1CA1CA2CA9CA12
SCHEMBL5511677 0.76 PRKCI (0.33)
SCHEMBL5512090 0.73 EP300 (0.43) ALDH1A1MAPTCYP3A4TDP1TSHR
SCHEMBL657099 0.71 ALDH1A1 (0.42) ALDH1A1CA1CA2CA9CA12
SCHEMBL5516040 0.70 ALDH1A1 (0.43) ALDH1A1CA1CA2CA9CA12
SCHEMBL5522910 0.68 PRKCI (0.35)
SCHEMBL5508151 0.68 PLAU (0.38) ALDH1A1MAPTCYP3A4TDP1HSD17B10
SCHEMBL5814455 0.67 CA1 (0.38) ALDH1A1CA1CA2CA9CA12
SCHEMBL17787997 0.67 LMNA (0.50) ALDH1A1CYP3A4TDP1HSD17B10TP53

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