SCHEMBL22299939

SCHEMBL22299939

Cc1cc(/N=N/c2ccc(/N=C/c3ccccc3O)c3ccccc23)c(C)cc1/N=N/c1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ ALOX15 P16050 3/20 0.44
▸ THRB P10828 2/20 0.44
▸ PKM P14618 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ POLB P06746 3/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ MPI P34949 2/20 0.43
▸ ALOX12 P18054 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43

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
SCHEMBL22299850 0.92 CA12 (0.48) MAPTKMT2AALOX15ALDH1A1KDM4E
SCHEMBL22299732 0.77 MEN1 (0.56) MAPTKMT2APKMCYP3A4KDM4E
SCHEMBL3365845 0.75 SIRT2 (0.73) MAPTKMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL3365850 0.75 SIRT2 (0.73) MAPTKMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL22299942 0.74 SIRT2 (0.48) MAPTKMT2AALDH1A1KDM4EPOLB
Lithium Ion SCHEMBL3396856 0.73 SIRT2 (0.71) MAPTKMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL22299838 0.71 MEN1 (0.38) MAPTKMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11135305 0.71 ALDH1A1 (0.46) MAPTKMT2AALDH1A1KDM4EPOLB
SCHEMBL9648762 0.71 ALDH1A1 (0.47) MAPTKMT2AALOX15THRBALDH1A1
SCHEMBL22299856 0.70 MAPT (0.46) MAPTKMT2AALOX15THRBCYP1A2

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
WO-2020156832-A1 DICHROIC AZO-AZOMETHINE DYES FOR LIQUID CRYSTAL COMPOSITIONS BASF SE (DE) 2020-08-06 — — WO disclosed
Send feedback