SCHEMBL31363013

SCHEMBL31363013

Cc1cccc2c1-c1ccc(Cl)cc1C2(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.43
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
CYP3A4 P08684 1/20 0.36
PGR P06401 4/20 0.35
PNMT P11086 1/20 0.35
ALDH1A1 P00352 1/20 0.34
AKR1A1 P14550 1/20 0.34
AKR1B1 P15121 1/20 0.34
CRHR1 P34998 1/20 0.33
DPP4 P27487 1/20 0.33
NR3C1 P04150 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MAP2 P11137 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
SCHEMBL12377014 0.84 PDK2 (0.38) PDK2CYP3A4PGRALDH1A1AKR1A1
SCHEMBL1031388 0.82 PDK2 (0.43) PDK2HTR7HTR2BALDH1A1
SCHEMBL30672537 0.82 PDK2 (0.42) PDK2PGRAKR1A1AKR1B1CYP11B1
SCHEMBL19728552 0.82 PDK2 (0.42) PDK2PGRAKR1A1AKR1B1CYP11B1
SCHEMBL31507440 0.81 PDK2 (0.44) PDK2HTR7HTR2BCYP3A4ALDH1A1
SCHEMBL18457543 0.80 PDK2 (0.47) PDK2HTR7HTR2BPGRAKR1A1
SCHEMBL26083876 0.80 PDK2 (0.43) PDK2HTR7HTR2BCYP3A4PGR
SCHEMBL27169587 0.80 PDK2 (0.41) PDK2CYP3A4PGRAKR1A1AKR1B1
SCHEMBL21102429 0.80 PDK2 (0.41) PDK2PGRAKR1A1AKR1B1
SCHEMBL30595114 0.80 PDK2 (0.41) PDK2PGRAKR1A1AKR1B1

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-20250120308-A1 AMINE-CONTAINING COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, ELECTRONIC APPARATUS AND ELECTRONIC EQUIPMENT SAMSUNG DISPLAY CO., LTD. (KR) 2025-04-10 US disclosed
US-20250017034-A1 LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, AND AMINE COMPOUND FOR THE LIGHT-EMITTING ELEMENT SAMSUNG DISPLAY CO., LTD. (KR) 2025-01-09 US disclosed