SCHEMBL25801302

SCHEMBL25801302

c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)s5)cc4)c4ccc(-c5ccc(-c6ccc(-c7csc(-c8ccc(N(c9ccc(-c%10cccs%10)cc9)c9ccc(-c%10cccs%10)cc9)cc8)c7)cc6)s5)cc4)cc3)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.44
HSD17B1 P14061 4/20 0.41
HSD17B2 P37059 4/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LTA4H P09960 1/20 0.36
KCNH2 Q12809 1/20 0.36
DYRK1A Q13627 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
MMP12 P39900 1/20 0.34
NQO2 P16083 1/20 0.34

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
SCHEMBL12372897 0.82 APP (0.51) APPCYP3A4CYP2C9MAPTKDM4E
SCHEMBL12180504 0.81 APP (0.59) APPCYP3A4CYP2C9MAPTKDM4E
SCHEMBL12180541 0.81 APP (0.59) APPCYP3A4CYP2C9MAPTKDM4E
SCHEMBL15591131 0.81 LTA4H (0.48) APPCYP3A4CYP2C9PTPN22MAPT
SCHEMBL1273540 0.81 HSD17B1 (0.53) HSD17B1HSD17B2CYP3A4CYP2C9MAPT
SCHEMBL13197641 0.79 APP (0.51) APPMAPTKDM4ELTA4HMEN1
SCHEMBL2864395 0.79 APP (0.51) APPMAPTKDM4ELTA4HMEN1
SCHEMBL867469 0.79 LTA4H (0.50) APPCYP3A4CYP2C9MAPTKDM4E
SCHEMBL14253104 0.79 LTA4H (0.50) APPCYP3A4CYP2C9MAPTKDM4E
SCHEMBL13125874 0.79 APP (0.62) APPHSD17B1HSD17B2CYP3A4CYP2C9

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-3016158-B1 ORGANIC LIGHT-EMITTING ELEMENT LG DISPLAY CO LTD (KR) 2023-07-12 EP disclosed