SCHEMBL28512559

SCHEMBL28512559

FC(F)(F)c1ccc(-c2ccccc2)cc1.N=C=O.N=C=O

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 8/20 0.75
BACE1 P56817 2/20 0.61
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
PTPN5 P54829 1/20 0.50
GLO1 Q04760 1/20 0.49
SCN2A Q99250 2/20 0.45
CYP2C9 P11712 1/20 0.44
DHODH Q02127 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPV6 Q9H1D0 1/20 0.42

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
Trifluoromethylbenzene SCHEMBL2906474 0.87 TSHR (0.70) KIF11BACE1ALDH1A1TSHRMEN1
SCHEMBL163728 0.87 KIF11 (1.00) KIF11BACE1ALDH1A1TSHRPTPN5
Water SCHEMBL7382449 0.84 KIF11 (0.95) KIF11BACE1ALDH1A1TSHRPTPN5
Ammonia Solution, Strong SCHEMBL21809401 0.84 KIF11 (0.95) KIF11BACE1ALDH1A1TSHRPTPN5
SCHEMBL27887943 0.84 KIF11 (0.95) KIF11BACE1ALDH1A1TSHRPTPN5
Nitrogen SCHEMBL261370 0.82 KIF11 (0.90) KIF11BACE1ALDH1A1TSHRPTPN5
Hydrazine SCHEMBL27541145 0.82 KIF11 (0.90) KIF11BACE1ALDH1A1TSHRPTPN5
SCHEMBL29442097 0.82 ALDH1A1 (0.56) KIF11ALDH1A1TSHRMEN1KMT2A
Tannin Pyrogallol SCHEMBL11218249 0.82 ALDH1A1 (0.56) KIF11ALDH1A1TSHRMEN1KMT2A
Biphenyl SCHEMBL2136893 0.79 ALDH1A1 (0.60) ALDH1A1TSHR

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-108368264-B Polyamide-imide, method for producing same, and polyamide-imide film using same 株式会社LG化学 2021-01-22 CN disclosed