SCHEMBL25974682

SCHEMBL25974682

c1ccc2cc(-c3ccc(-c4cc(-c5nc(-c6cc7ccccc7c7ccccc67)nc6c5oc5ccccc56)c5c(c4)oc4ccccc45)cc3)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 7/20 0.32
LMNA P02545 4/20 0.32
KMT2A Q03164 4/20 0.32
POLB P06746 3/20 0.32
TSHR P16473 3/20 0.32
HTT P42858 2/20 0.32
ALDH1A1 P00352 8/20 0.31
HPGD P15428 3/20 0.31
KDM4E B2RXH2 2/20 0.31
NPSR1 Q6W5P4 3/20 0.31
MEN1 O00255 3/20 0.31
GAA P10253 2/20 0.31
TP53 P04637 1/20 0.31
HSD17B10 Q99714 2/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL25974679 0.91 MAPT (0.40) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL25974472 0.91 CYP1A2 (0.38) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL27391345 0.90 CYP1A2 (0.39) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL25974473 0.89 MAPT (0.38) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL25974466 0.89 MAPT (0.38) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL25974471 0.89 MAPT (0.38) CYP1A2CYP2C9CYP2C19MAPTLMNA
SCHEMBL25974677 0.89 MAPT (0.42) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL25974684 0.89 MAPT (0.41) CYP1A2CYP2C9CYP2C19MAPTLMNA
SCHEMBL27391343 0.88 MAPT (0.39) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL25974465 0.87 MAPT (0.37) CYP1A2CYP2C9CYP2C19MAPTLMNA

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
WO-2023149718-A1 ORGANIC LIGHT-EMITTING ELEMENT INCLUDING HETEROCYCLIC COMPOUND, COMPOSITION FOR ORGANIC MATERIAL LAYER OF ORGANIC LIGHT-EMITTING ELEMENT, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING ELEMENT 엘티소재주식회사 2023-08-10 WO disclosed