SCHEMBL25119021

SCHEMBL25119021

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccccc2)c2c1C1c3ccccc3C2c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FABP7 O15540 1/20 0.31
FABP3 P05413 1/20 0.31
FABP5 Q01469 1/20 0.31

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
SCHEMBL25119071 0.94 KDM4E (0.39) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL25119452 0.94 KDM4E (0.37) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL25119411 0.94 KDM4E (0.35) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL25119017 0.93 KDM4E (0.40) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL25119403 0.93 KDM4E (0.33) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL25119442 0.91 KDM4E (0.38) ALDH1A1LMNAHPGDSMN1; SMN2MAPK1
SCHEMBL25119358 0.89 AKT1 (0.36) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL25565084 0.88 KDM4E (0.33) ALDH1A1LMNAHPGDSMN1; SMN2MAPK1
SCHEMBL25119066 0.87 L3MBTL1 (0.40) CYP11B1CYP11B2ALDH1A1LMNAHPGD
SCHEMBL25119206 0.86 L3MBTL1 (0.46) ALDH1A1KDM4EATML3MBTL1

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-2023052272-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-04-06 WO disclosed