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Sugi Predict / Compounds / 2-Phenylquinoline

2-Phenylquinoline

2-Phenylquinoline

SCHEMBL1964102

CC(=O)CC(=O)C(=O)[O-].CC(=O)CC(=O)C(=O)[O-].CC(=O)CC(=O)C(=O)[O-].CC(=O)CC(=O)C(=O)[O-].[Ir+4].c1ccc(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccc3ccccc3n2)cc1

nearest known ligand 0.48

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.48
▸ NPC1 O15118 7/20 0.45
▸ RAB9A P51151 7/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MAPT P10636 4/20 0.43
▸ GMNN O75496 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ PKM P14618 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
2-Phenylquinoline SCHEMBL4610834 1.00 AR (0.48) ARNPC1RAB9ACYP3A4CYP2C9
2-Phenylquinoline SCHEMBL14964865 0.97 AR (0.48) ARNPC1RAB9ACYP3A4CYP2C9
2-Phenylquinoline SCHEMBL3720362 0.97 AR (0.48) ARNPC1RAB9ACYP3A4CYP2C9
2-Phenylquinoline SCHEMBL2348982 0.89 AR (0.50) ARNPC1RAB9ACYP3A4CYP2C9
2-Phenylquinoline SCHEMBL28386605 0.88 AR (0.49) ARNPC1RAB9ACYP3A4CYP2C9
2-Phenylquinoline SCHEMBL7091019 0.87 AR (0.54) ARNPC1RAB9ACYP3A4CYP2C9
2-Phenylquinoline SCHEMBL27801875 0.87 AR (0.54) ARNPC1RAB9ACYP3A4CYP2C9
2-Phenylquinoline SCHEMBL27910505 0.83 AR (0.56) ARNPC1RAB9ACYP3A4CYP2C9
SCHEMBL9942375 0.81 DHODH (0.47) ARNPC1RAB9AALDH1A1SMN1; SMN2
2-Phenylquinoline SCHEMBL28311274 0.79 AR (0.59) ARNPC1RAB9ACYP3A4CYP2C9

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
EP-2335301-A2 RADIATION EMITTING DEVICE OSRAM Opto Semiconductors GmbH (DE) 2011-06-22 — — EP disclosed