SCHEMBL28036409

SCHEMBL28036409

CC1C=CC=CC1c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 6/20 0.42
MAOB P27338 10/20 0.36
MAOA P21397 9/20 0.36
KDM1A O60341 7/20 0.36
CYP2B6 P20813 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
LMNA P02545 2/20 0.36
TAAR1 Q96RJ0 2/20 0.36
HTR2C P28335 2/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
CYP2A6 P11509 1/20 0.36
SLC6A2 P23975 1/20 0.36
ADRA1A P35348 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 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
SCHEMBL30311727 0.81 RECQL (0.40) CYP2C19MAOBMAOAKDM1ACYP2B6
SCHEMBL19622957 0.78 KDM1A (0.37) CYP2C19MAOBKDM1ACYP1A2CYP2D6
SCHEMBL24297478 0.78 MAPT (0.43) CYP2C19MAOBKDM1ACYP1A2CYP2C9
SCHEMBL22147068 0.78 KDM1A (0.37) CYP2C19MAOBKDM1ACYP1A2CYP2D6
SCHEMBL13992539 0.78 HTR2A (0.41) KDM1AHTR2CSLC6A2SLC6A3RCOR1
SCHEMBL22185335 0.78 CYP3A4 (0.39) MAOALMNACYP3A4RECQLMEN1
SCHEMBL23638993 0.78 CYP2A6 (0.46) LMNACYP2A6CYP2A13CHRNA7
SCHEMBL21031250 0.76 KDM4E (0.30)
SCHEMBL22071653 0.76
SCHEMBL18477663 0.75 HTR2C (0.38) MAOBMAOATAAR1HTR2CMEN1

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
CN-105103325-B Organic electroluminescent device 日本放送协会 2019-04-05 CN disclosed
CN-105103325-A Organic electroluminescence element JAPAN BROADCASTING CORP 2015-11-25 CN disclosed