SCHEMBL25620980

SCHEMBL25620980

C1=C2C(=CCC1)c1ccc(-c3ccc(-c4cc(-c5ccc(-c6ccc7c8c(cccc68)-c6ccccc6-7)cc5)cc(-c5ccc(N(c6ccc(-c7cccnc7)cc6)c6ccc(-c7cccnc7)cc6)cc5)c4)cc3)c3cccc2c13

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.41
CYP11B2 P19099 6/20 0.41
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP17A1 P05093 2/20 0.34
PIK3CA P42336 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
TDP2 O95551 1/20 0.33
CYP1A2 P05177 1/20 0.33
PDK2 Q15119 1/20 0.33
CYP19A1 P11511 3/20 0.33
USP1 O94782 1/20 0.32
WDR48 Q8TAF3 1/20 0.32
DHODH Q02127 1/20 0.32
TNF P01375 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL25619552 0.91 CYP11B1 (0.45) CYP11B1CYP11B2MKNK1MKNK2CYP2A6
SCHEMBL16484676 0.88 CYP11B1 (0.44) CYP11B1CYP11B2MKNK1MKNK2CYP2A6
SCHEMBL16485349 0.88 CYP11B1 (0.48) CYP11B1CYP11B2MKNK1MKNK2CYP2A6
SCHEMBL16484672 0.88 CYP11B1 (0.48) CYP11B1CYP11B2MKNK1MKNK2CYP2A6
SCHEMBL16485362 0.86 CYP11B1 (0.42) CYP11B1CYP11B2MKNK1MKNK2CYP2A6
SCHEMBL16485344 0.85 CYP11B1 (0.46) CYP11B1CYP11B2MKNK1MKNK2CYP2A6
SCHEMBL16484041 0.84 CYP11B1 (0.42) CYP11B1CYP11B2MKNK1MKNK2CYP2A6
SCHEMBL16484746 0.83 CYP11B1 (0.44) CYP11B1CYP11B2MKNK1MKNK2CYP2A6
SCHEMBL16484714 0.83 CYP11B1 (0.44) CYP11B1CYP11B2MKNK1MKNK2CYP2A6
SCHEMBL16485360 0.82 CYP11B1 (0.43) CYP11B1CYP11B2MKNK1MKNK2CYP2A6

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
EP-4198103-A1 ORGANIC LIGHT EMITTING DIODE AND DEVICE COMPRISING THE SAME Novaled GmbH (DE) 2023-06-21 EP disclosed
EP-4199125-A1 ORGANIC LIGHT EMITTING DIODE, METHOD FOR PREPARING THE SAME AND DEVICE COMPRISING THE SAME Novaled GmbH (DE) 2023-06-21 EP disclosed