SCHEMBL21427063

SCHEMBL21427063

Nc1ccc(Oc2ccc(-c3ccc(-c4ccc(N)cc4)s3)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 7/20 0.74
▸ ALDH1A1 P00352 6/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ MAPT P10636 4/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ MITF O75030 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ GFER P55789 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ NLRP1 Q9C000 1/20 0.54
▸ NOD2 Q9HC29 1/20 0.54
▸ MAOA P21397 2/20 0.52
▸ TEAD4 Q15561 1/20 0.50
▸ MAOB P27338 1/20 0.50
▸ POLB P06746 1/20 0.48
▸ NPC1 O15118 1/20 0.45
▸ HPGD P15428 1/20 0.45

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
SCHEMBL21427066 1.00 APP (0.74) APPALDH1A1TDP1CYP3A4TSHR
SCHEMBL6751854 0.86 APP (1.00) APPALDH1A1TDP1CYP3A4MAPT
SCHEMBL12973259 0.83 APP (1.00) APPALDH1A1TDP1CYP3A4MAPT
SCHEMBL1271568 0.81 ALDH1A1 (0.82) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL3482529 0.81 ALDH1A1 (0.82) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL8827988 0.81 ALDH1A1 (0.82) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL12098596 0.81 ALDH1A1 (0.82) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL7144807 0.81 ALDH1A1 (0.82) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL3482671 0.81 ALDH1A1 (0.82) ALDH1A1TDP1CYP3A4TSHRMAPT
SCHEMBL64458 0.81 ALDH1A1 (0.82) ALDH1A1TDP1CYP3A4TSHRMAPT

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-2019189416-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2019-10-03 — — WO disclosed
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