SCHEMBL24890106

SCHEMBL24890106

c1ccc(-c2ccc(C3NC(c4cccc5oc6ccccc6c45)=NC(c4ccc5ccccc5c4)N3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PLA2G2A P14555 1/20 0.30
▸ PLA2G4A P47712 1/20 0.30
▸ CYP1A1 P04798 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ FYN P06241 1/20 0.30
▸ MAPK3 P27361 1/20 0.30
▸ AHR P35869 1/20 0.30
▸ PAX8 Q06710 1/20 0.30
▸ ABCG2 Q9UNQ0 1/20 0.30
▸ BACE1 P56817 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
SCHEMBL24634338 0.95 ALDH1A1 (0.33) ALDH1A1MAPTPLA2G2APLA2G4A
SCHEMBL24356429 0.93 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL24356828 0.91 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL24890315 0.91 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL24890301 0.90 ALDH1A1 (0.32) ALDH1A1MAPT
SCHEMBL26570237 0.89 P2RX7 (0.30) —
SCHEMBL24887092 0.89 TDP1 (0.33) —
SCHEMBL26406116 0.89 — —
SCHEMBL24886436 0.89 ALDH1A1 (0.34) ALDH1A1MAPTCYP1A1CYP1A2FYN
SCHEMBL24890078 0.89 ALDH1A1 (0.34) ALDH1A1MAPTCYP1A1CYP1A2FYN

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-2023287228-A1 ORGANIC LIGHT EMITTING DEVICE 주식회사 엘지화학 2023-01-19 — — WO disclosed
Send feedback