SCHEMBL8373327

SCHEMBL8373327

Cc1cccc(NCCNc2cccc(C)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 1.00
▸ CYP1A2 P05177 2/20 1.00
▸ CYP3A4 P08684 1/20 1.00
▸ CYP2D6 P10635 1/20 1.00
▸ CYP2C9 P11712 1/20 1.00
▸ CYP2C19 P33261 1/20 1.00
▸ HTT P42858 1/20 1.00
▸ NPSR1 Q6W5P4 1/20 0.56
▸ HPGD P15428 2/20 0.55
▸ ACHE P22303 2/20 0.50
▸ ICMT O60725 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ GAA P10253 2/20 0.48
▸ LMNA P02545 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL24137862 0.94 MAPT (0.88) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11111034 0.91 MAPT (0.83) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2870884 0.89 MAPT (0.80) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11526578 0.88 MAPT (0.78) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10282556 0.88 MAPT (0.78) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16081661 0.87 MAPT (0.77) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9366846 0.87 MAPT (0.77) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1004459 0.87 MAPT (0.77) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10996020 0.87 MAPT (0.77) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28997881 0.87 MAPT (0.77) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892824-A1 COMPOSITION FOR LIQUID CRYSTAL ALIGNING FILM, LIQUID CRYSTAL ALIGNING FILM, LIQUID CRYSTAL DISPLAYS AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-01-27 — — EP disclosed
WO-1998031725-A1 COMPOSITION FOR LIQUID CRYSTAL ALIGNING FILM, LIQUID CRYSTAL ALIGNING FILM, LIQUID CRYSTAL DISPLAYS AND LIQUID CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1998-07-23 — — WO disclosed
US-4161528-A INSECTICIDES; MITICIDES CELAMERCK GMBH & CO. KG. (DE) 1979-07-17 — — US disclosed
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