SCHEMBL21994346

SCHEMBL21994346

C1=CC(c2cccc3ccccc23)c2cccc3cccc1c23

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
CYP1A2 P05177 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP2 O95551 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP3 P42574 1/20 0.36
HTT P42858 1/20 0.36
GALK1 P51570 1/20 0.36
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL1025256 0.87 KDM1A (0.43) KDM1AALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL28231919 0.85 ERBB2 (0.35) ALDH1A1HPGDHSD17B10CYP1A2KDM4E
SCHEMBL21326205 0.83 L3MBTL1 (0.36) ALDH1A1HPGDHSD17B10CYP1A2KDM4E
SCHEMBL28438624 0.82 GPR3 (0.36) ALDH1A1HPGDHSD17B10CYP1A2MAPT
SCHEMBL28806765 0.81 ALDH1A1 (0.34) ALDH1A1HPGDHSD17B10L3MBTL1CYP2A6
SCHEMBL2466948 0.81
SCHEMBL20472624 0.81 CYP1A2 (0.41) ALDH1A1HPGDHSD17B10CYP1A2L3MBTL1
SCHEMBL3470484 0.81 MEN1 (0.37) ALDH1A1HPGDHSD17B10CYP1A2MAPT
SCHEMBL28445320 0.79 KIF11 (0.43) ALDH1A1HPGDHSD17B10CYP1A2KDM4E
SCHEMBL27893873 0.79 ALDH1A1 (0.34) ALDH1A1HPGDHSD17B10KDM4EMAPT

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 4 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
WO-2020108899-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2020-06-04 WO disclosed
WO-2020109269-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2020-06-04 WO disclosed