SCHEMBL21511283

SCHEMBL21511283

C=Cc1ccccc1/N=C\NC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ CA12 O43570 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MPI P34949 1/20 0.30
▸ RECQL P46063 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL11865305 0.81 CYP2C9 (0.39) CYP2C9ALDH1A1CA12CA2CA9
SCHEMBL15966239 0.78 ALDH1A1 (0.41) CYP2C9ALDH1A1CA12CA2CA9
SCHEMBL19102522 0.74 ALDH1A1 (0.41) ALDH1A1CA12CA2CA9
SCHEMBL10174084 0.74 ALDH1A1 (0.41) ALDH1A1CA12CA2CA9L3MBTL1
SCHEMBL11531465 0.74 CYP2C9 (0.68) CYP2C9ALDH1A1CYP3A4CYP2D6KDM4E
SCHEMBL11210021 0.74 CYP2C9 (0.68) CYP2C9ALDH1A1CYP3A4CYP2D6KDM4E
SCHEMBL13241355 0.74 CYP2C9 (0.68) CYP2C9ALDH1A1CYP3A4CYP2D6KDM4E
SCHEMBL21030570 0.73 MAPT (0.40) CYP2C9ALDH1A1CA12CA2CA9
SCHEMBL13816219 0.73 ALDH1A1 (0.38) CYP2C9ALDH1A1CA12CA2CA9
SCHEMBL11857939 0.72 CYP2C9 (0.41) CYP2C9ALDH1A1CYP3A4CYP2D6POLB

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
US-20190322936-A1 POLYMERIZABLE COMPOUND, POLYMERIZABLE LIQUID CRYSTAL MIXTURE, POLYMER, OPTICAL FILM, OPTICALLY ANISOTROPIC BODY, POLARIZER, DISPLAY, ANTIREFLECTION FILM, AND COMPOUND ZEON CORPORATION (JP) 2019-10-24 — — US disclosed
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