SCHEMBL20114434

SCHEMBL20114434

c1ccc(-c2cc(-c3ccccc3)cc(-n3c4ccccc4c4cc(-c5ccc6c(c5)Sc5ccccc5N6c5ccc6ccccc6c5)ccc43)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.34
ACHE P22303 1/20 0.32
TSPO P30536 1/20 0.30
HDAC4 P56524 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
HTR6 P50406 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL20114240 0.95 BCHE (0.36) BCHEACHETSPOHDAC4HTR2C
SCHEMBL20114433 0.94 BCHE (0.34) BCHEACHETSPOHDAC4HTR2C
SCHEMBL20114441 0.92 KDM4E (0.38) BCHEACHEHDAC4HTR2CADRA1A
SCHEMBL20114438 0.92 BCHE (0.38) BCHEACHEHTR2CADRA1AHTR2B
SCHEMBL20114428 0.90 KDM4E (0.37) BCHEACHEHDAC4HTR2CADRA1A
SCHEMBL20114055 0.90 BCHE (0.36) BCHEACHEHDAC4HTR2CADRA1A
SCHEMBL20114057 0.90 L3MBTL1 (0.37) BCHEACHETSPOHDAC4HTR2C
SCHEMBL20114443 0.89 BCHE (0.36) BCHEACHEHTR2CADRA1AHTR2B
SCHEMBL20114440 0.88 BCHE (0.35) BCHEACHEHTR2CADRA1AHTR2B
SCHEMBL20114427 0.88 BCHE (0.35) BCHEACHEHTR2CADRA1AHTR2B

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
WO-2018080067-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE INCLUDING SAME 주식회사 두산 2018-05-03 WO disclosed