SCHEMBL21728375

SCHEMBL21728375

C=C(/C=C(\N=C(/C)c1ccccc1)c1ccc(C(C)(C)c2ccc(-c3cc(-c4ccccc4)nc(C4=CCCC=C4)n3)cc2)cc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RAB9A P51151 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 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
SCHEMBL21728480 0.82
SCHEMBL21728430 0.81
SCHEMBL21728515 0.77 MEN1 (0.41) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL21728475 0.75 TDP1 (0.34) LMNAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL21728325 0.72 MEN1 (0.40) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL21728240 0.72 ADORA1 (0.32) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL21728438 0.72 KDM4E (0.40) LMNATP53GAAMAPTSMN1; SMN2
SCHEMBL21728329 0.71 MEN1 (0.40) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL21728241 0.71 MEN1 (0.39) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL23033831 0.70 MAPT (0.44) LMNAMAPTSMN1; SMN2MEN1KMT2A

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-3214084-B1 CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2020-02-19 EP disclosed