SCHEMBL25720352

SCHEMBL25720352

Bc1cccc2c1-c1cc(Cl)ccc1C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.40
DRD4 P21917 4/20 0.40
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ITGA1 P56199 1/20 0.38
CYP1A2 P05177 1/20 0.37
CNR1 P21554 1/20 0.36
CASP6 P55212 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
METAP1 P53582 1/20 0.34
TDP2 O95551 1/20 0.34
F7 P08709 1/20 0.33
PARP1 P09874 1/20 0.33
F3 P13726 1/20 0.33
PARP10 Q53GL7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 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
SCHEMBL25720384 0.79 DRD2 (0.40) DRD2DRD4HPGDL3MBTL1ITGA1
SCHEMBL25720324 0.79 MAPT (0.53) DRD2HPGDHTR2APARP1KDM4E
SCHEMBL18455523 0.77 MAOA (0.46) DRD2DRD4HPGDL3MBTL1CASP6
SCHEMBL25720243 0.76 DRD2 (0.40) DRD2DRD4HPGDL3MBTL1ITGA1
SCHEMBL25720288 0.76 DRD2 (0.40) DRD2DRD4HPGDL3MBTL1ITGA1
SCHEMBL29581704 0.74 METAP1 (0.47) DRD2DRD4ITGA1CYP1A2HTR2A
SCHEMBL4896509 0.74 METAP1 (0.47) DRD2DRD4ITGA1CYP1A2HTR2A
SCHEMBL3785566 0.74 ITGA1 (0.54) DRD2DRD4HPGDL3MBTL1ITGA1
SCHEMBL24726895 0.72 HSP90AA1 (0.44) DRD2DRD4L3MBTL1ITGA1CYP1A2
SCHEMBL28863723 0.71 METAP1 (0.43) DRD2DRD4ITGA1CYP1A2HSP90AA1

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-4190779-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE LT Materials Co., Ltd. (KR) 2023-06-07 EP disclosed