SCHEMBL23050591

SCHEMBL23050591

CC1C=CC=C(c2cc(-c3ccccc3)nc(-c3ccccc3-c3ccc(-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 2/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.33
DHODH Q02127 2/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
NTSR1 P30989 1/20 0.32
SQOR Q9Y6N5 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
SCHEMBL24594213 0.95 ACACA (0.32) ACACAALDH1A1MAPTHPGDKDM4E
SCHEMBL22664867 0.93 ACACA (0.33) ACACAALDH1A1MAPTHPGDKDM4E
SCHEMBL23050672 0.83 BRD4 (0.32)
SCHEMBL16641392 0.81 MEN1 (0.45) ACACAALDH1A1MAPTHPGDKDM4E
SCHEMBL16441632 0.79 MEN1 (0.39) ALDH1A1MAPTHPGDKDM4EMEN1
SCHEMBL24112460 0.77 MEN1 (0.44) ACACAALDH1A1MAPTHPGDKDM4E
SCHEMBL21664999 0.76 MEN1 (0.32) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL16641387 0.76 MEN1 (0.47) ACACAALDH1A1MAPTHPGDKDM4E
SCHEMBL20620043 0.75 MEN1 (0.43) ACACAALDH1A1MAPTHPGDKDM4E
SCHEMBL20620353 0.75 MEN1 (0.43) ACACAALDH1A1MAPTHPGDKDM4E

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
EP-3787056-A1 ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2021-03-03 EP disclosed