SCHEMBL21994384

SCHEMBL21994384

C1=CC(n2c3ccccc3c3ccccc32)c2cccc3cccc1c23

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.32
ALDH1A1 P00352 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL28735884 0.73 DDB1 (0.38) ALDH1A1
SCHEMBL23326259 0.73 MEN1 (0.38) ALDH1A1HPGDHSD17B10
SCHEMBL11035480 0.73 ALDH1A1 (0.36) CYP1A2ALDH1A1THRBHPGDHSD17B10
SCHEMBL27773908 0.72 MEN1 (0.33)
SCHEMBL21994346 0.71 KDM1A (0.40) CYP1A2ALDH1A1THRBHPGDHSD17B10
SCHEMBL20504478 0.70 ALDH1A1 (0.43) CYP1A2ALDH1A1CYP2C19
SCHEMBL28754378 0.70 USP2 (0.41) CYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL3470484 0.69 MEN1 (0.37) CYP1A2ALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL2361101 0.68 ALDH1A1 (0.32) CYP1A2ALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL10965062 0.66 ALDH1A1 (0.33) CYP1A2ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3887479-A1 ELECTRONIC DEVICE Merck Patent GmbH (DE) 2021-10-06 EP disclosed
EP-3887378-A1 ELECTRONIC DEVICE Merck Patent GmbH (DE) 2021-10-06 EP disclosed
CN-111386299-A Low color polymers for use in electronic devices E.I.内穆尔杜邦公司 2020-07-07 CN disclosed
WO-2020109269-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2020-06-04 WO disclosed
WO-2020108899-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2020-06-04 WO disclosed