SCHEMBL25877333

SCHEMBL25877333

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc5c(c4)oc4ccc6ccccc6c45)cc3)c3ccccc3-c3cccc4ccccc34)cc21

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
ABCG2 Q9UNQ0 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
SCHEMBL25876763 0.95 TDP1 (0.31) CA12CA1CA2CA9ABCG2
SCHEMBL25877117 0.94 MAOA (0.30) MAOAMAOBABCG2
SCHEMBL25875880 0.93 CA12 (0.31) CA12CA1CA2CA9MAOA
SCHEMBL25877329 0.92 ABCG2 (0.31) ABCG2
SCHEMBL27298573 0.92 ABCG2 (0.33) ABCG2
SCHEMBL25877261 0.91 ABCG2 (0.34) ABCG2
SCHEMBL25877661 0.90 MAOA (0.30) MAOAMAOB
SCHEMBL25877452 0.90 ABCG2 (0.31) ABCG2
SCHEMBL25876553 0.89 TDP1 (0.31) ABCG2
SCHEMBL24887269 0.89 CYP1A1 (0.32) CA12CA1CA2CA9

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-2023132694-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-07-13 WO disclosed