SCHEMBL30758809

SCHEMBL30758809

Nc1ccc(-c2ccc(N)c(F)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.59
TAAR1 Q96RJ0 3/20 0.54
CYP3A4 P08684 5/20 0.52
ALDH1A1 P00352 4/20 0.52
TDP1 Q9NUW8 4/20 0.52
TP53 P04637 1/20 0.52
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
TSHR P16473 2/20 0.41

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
SCHEMBL3790335 1.00 KIF11 (0.59) KIF11TAAR1CYP3A4ALDH1A1TDP1
SCHEMBL1099003 0.90 ALDH1A1 (0.62) KIF11TAAR1CYP3A4ALDH1A1TDP1
SCHEMBL29924944 0.90 ALDH1A1 (0.62) KIF11TAAR1CYP3A4ALDH1A1TDP1
SCHEMBL3823490 0.86 ALDH1A1 (0.65) KIF11TAAR1CYP3A4ALDH1A1TDP1
SCHEMBL18560686 0.84 ALDH1A1 (0.52) KIF11TAAR1CYP3A4ALDH1A1TDP1
SCHEMBL3789689 0.84 ALDH1A1 (0.52) KIF11TAAR1CYP3A4ALDH1A1TDP1
SCHEMBL14054493 0.83 KIF11 (0.61) KIF11TAAR1CYP3A4ALDH1A1TDP1
SCHEMBL21200228 0.83 ALDH1A1 (0.54) KIF11CYP3A4ALDH1A1TDP1MEN1
SCHEMBL31388656 0.83 KIF11 (0.61) KIF11TAAR1CYP3A4ALDH1A1TDP1
SCHEMBL3859616 0.82 ALDH1A1 (0.48) KIF11CYP3A4ALDH1A1TDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118696267-A Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element 日产化学株式会社 2024-09-24 CN disclosed
CN-118451362-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element, and compound 日产化学株式会社 2024-08-06 CN disclosed
CN-118451142-A Polymer composition, liquid crystal aligning agent, resin film, liquid crystal aligning film, method for producing liquid crystal display element, and liquid crystal display element 日产化学株式会社 2024-08-06 CN disclosed
CN-118401888-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element, compound and polymer 日产化学株式会社 2024-07-26 CN disclosed
CN-118355319-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element, and compound 日产化学株式会社 2024-07-16 CN disclosed
CN-117716282-A Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element, compound and polymer 日产化学株式会社 2024-03-15 CN disclosed
CN-117546082-A Liquid crystal aligning agent, liquid crystal alignment film and liquid crystal display element 日产化学株式会社 2024-02-09 CN disclosed