SCHEMBL24029668

SCHEMBL24029668

c1ccc(-c2ccc(N(c3ccc4c5ccccc5c5ccccc5c4c3)c3c(-c4ccccc4)ccc4ccccc34)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.36
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 4/20 0.34
HPGD P15428 4/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MPI P34949 1/20 0.34
GPR84 Q9NQS5 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
CYP1A1 P04798 3/20 0.32
CYP1B1 Q16678 3/20 0.32
CYP1A2 P05177 3/20 0.32
MAPK1 P28482 3/20 0.32
TP53 P04637 2/20 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
SCHEMBL26061840 0.89 CYP11B1 (0.39) HPRT1ALDH1A1KDM4EHPGDMAPT
SCHEMBL24154418 0.88 ALDH1A1 (0.36) HPRT1ALDH1A1KDM4EHPGDMAPT
SCHEMBL24154109 0.88 ALDH1A1 (0.36) HPRT1ALDH1A1KDM4EHPGDMAPT
SCHEMBL23430357 0.88 ALDH1A1 (0.36) HPRT1ALDH1A1KDM4EHPGDMAPT
SCHEMBL24153674 0.86 ESR1 (0.37) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL24154573 0.85 ALDH1A1 (0.38) HPRT1ALDH1A1KDM4EHPGDMAPT
SCHEMBL28402730 0.85 ALDH1A1 (0.39) HPRT1ALDH1A1KDM4EHPGDMAPT
SCHEMBL24154171 0.84 GSTP1 (0.34) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL26420428 0.84 TDP1 (0.38) HPRT1ALDH1A1KDM4EHPGDMAPT
SCHEMBL24372604 0.84 ALDH1A1 (0.37) HPRT1ALDH1A1KDM4EHPGDMAPT

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-2021261907-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2021-12-30 WO disclosed
WO-2021230715-A1 ORGANIC LIGHT-EMITTING ELEMENT 주식회사 엘지화학 2021-11-18 WO disclosed