SCHEMBL9558376

SCHEMBL9558376

CCCCCc1ccc(CNc2cccc(C)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 3/20 0.52
MAPT P10636 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
HPGD P15428 1/20 0.47
GAA P10253 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
RECQL P46063 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
S1PR2 O95136 1/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 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
SCHEMBL11477061 0.82 ESR1 (0.54) PLK1CYP3A4S1PR2S1PR4S1PR1
SCHEMBL7651565 0.82 NPSR1 (0.54) PLK1CYP3A4GAAKMT2AMEN1
SCHEMBL3426470 0.81 PLK1 (0.61) PLK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20723944 0.79 MAPT (0.58) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10931913 0.79 SPHK1 (0.58) PLK1CYP3A4S1PR2S1PR4S1PR1
SCHEMBL259701 0.79 MAPT (0.65) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1033939 0.78 NPSR1 (0.58) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20197373 0.77 MAPT (0.71) PLK1MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL13093956 0.77 FFAR1 (0.57) PLK1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL21241028 0.77 MAPT (0.64) 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-0293942-B1 LIQUID CRYSTAL COMPOSITION CONTAINING A PLEOCHROIC AZO TYPE COMPOUND MITSUBISHI KASEI CORPORATION (JP) 1993-04-07 EP disclosed
US-4959172-A Liquid crystal composition containing a pleochroic azo type compound MITSUBISHI KASEI CORPORATION (JP) 1990-09-25 US disclosed
EP-0293942-A2 Liquid crystal composition containing a pleochroic azo type compound MITSUBISHI KASEI CORPORATION (JP) 1988-12-07 EP disclosed