SCHEMBL24948837

SCHEMBL24948837

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cccc(-c5ccccc5)c4-n4c5ccccc5c5c6ccccc6ccc54)cc3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.34
MCL1 Q07820 2/20 0.32
BAD Q92934 2/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
TNF P01375 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
KDM1A O60341 1/20 0.31
CDK4 P11802 3/20 0.30
CCND1 P24385 3/20 0.30
PTGES O14684 1/20 0.30
PDE6D O43924 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 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
SCHEMBL24948678 0.98 CA12 (0.36) MAPK14MCL1BADCA12CA1
SCHEMBL24948789 0.94 CA12 (0.34) MAPK14MCL1BADCA12CA1
SCHEMBL24949754 0.92 CA12 (0.32) CA12CA1CA2CA9ALDH1A1
SCHEMBL24949427 0.91 CA12 (0.31) MAPK14CA12CA1CA2CA9
SCHEMBL24949753 0.91 CA12 (0.36) MAPK14MCL1CA12CA1CA2
SCHEMBL24949750 0.90 MAPK14 (0.33) MAPK14MCL1BADTNF
SCHEMBL24949051 0.88 CA12 (0.36) MAPK14CA12CA1CA2CA9
SCHEMBL24119139 0.88 PDE6D (0.33) MCL1BADKDM4EALDH1A1MAPT
SCHEMBL24902345 0.88 PDE6D (0.33) MCL1BADKDM4EALDH1A1MAPT
SCHEMBL20812713 0.88 KDM4E (0.37) MCL1BADKDM4EALDH1A1MAPT

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
WO-2023002447-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed
WO-2023003403-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-01-26 WO disclosed