SCHEMBL15836286

SCHEMBL15836286

CC(C)(I)n1c2ccccc2c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.48
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ KDM4E B2RXH2 5/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ALKBH5 Q6P6C2 1/20 0.36
▸ FTO Q9C0B1 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ PER2 O15055 1/20 0.35
▸ CRY1 Q16526 1/20 0.35
▸ CRY2 Q49AN0 1/20 0.35
▸ BACE1 P56817 2/20 0.34
▸ MAPT P10636 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ HTT P42858 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33

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
SCHEMBL29625463 0.80 GPR3 (0.52) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL2608424 0.80 GPR3 (0.52) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL18381750 0.78 GPR3 (0.50) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL20691793 0.76 GPR3 (0.48) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL18995603 0.76 GPR3 (0.48) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL28023867 0.76 GPR3 (0.48) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL23666630 0.74 GPR3 (0.31) GPR3ALDH1A1LMNA
SCHEMBL6468879 0.73 CYP1A2 (0.48) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL17827623 0.73 GPR3 (0.44) GPR3CYP1A2CYP2C19POLBKDM4E
SCHEMBL21695305 0.73 GPR3 (0.44) GPR3CYP1A2CYP2C19POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9276218-B2 Arylamine compound and organic light-emitting device comprising same SAMSUNG DISPLAY CO., LTD. (KR) 2016-03-01 — — US disclosed
US-20140175398-A1 ARYLAMINE COMPOUND AND ORGANIC LIGHT- EMITTING DEVICE COMPRISING SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-06-26 — — US disclosed
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