SCHEMBL27308201

SCHEMBL27308201

c1ccc(-c2ccc(-c3ccc4cc(N(c5ccc(-c6ccccc6-n6c7ccccc7c7ccccc76)cc5)c5cccc(-c6cccc7ccccc67)c5)ccc4c3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
MCL1 Q07820 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
PPARG P37231 7/20 0.32
PPARA Q07869 7/20 0.32
NTSR1 P30989 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPARD Q03181 1/20 0.32
AKT1 P31749 1/20 0.31
PIM1 P11309 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 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
SCHEMBL27308189 1.00 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL27309562 0.97 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL27308211 0.97 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL24946945 0.97 CA12 (0.38) CA12CA1CA2CA9MCL1
SCHEMBL24902267 0.97 CA12 (0.38) CA12CA1CA2CA9MCL1
SCHEMBL24902634 0.96 CA12 (0.37) CA12CA1CA2CA9MCL1
SCHEMBL23154749 0.96 CA12 (0.39) CA12CA1CA2CA9MCL1
SCHEMBL23154735 0.96 CA12 (0.36) CA12CA1CA2CA9MCL1
SCHEMBL24903108 0.96 CA12 (0.40) CA12CA1CA2CA9MCL1
SCHEMBL24948654 0.95 CA12 (0.39) CA12CA1CA2CA9MCL1

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-2024039222-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME 주식회사 엘지화학 2024-02-22 WO disclosed