SCHEMBL18518976

SCHEMBL18518976

CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4cc(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)ccc4-c4ccccc4)c3cc21

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.32
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ATM Q13315 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
SCHEMBL21916566 0.98 MEN1 (0.30) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL18518812 0.97 PDK2 (0.31) PDK2
SCHEMBL18518168 0.97 MEN1 (0.31) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL18518978 0.96 PDK2 (0.31) PDK2
SCHEMBL18518977 0.96 — —
SCHEMBL18518725 0.94 AKT1 (0.32) —
SCHEMBL25765712 0.94 MEN1 (0.32) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL18518928 0.93 — —
SCHEMBL18518747 0.92 — —
SCHEMBL18518728 0.92 KDM4E (0.32) ALDH1A1MAPTHPGDATM

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-2017025164-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2017-02-16 — — WO disclosed
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