SCHEMBL21446775

SCHEMBL21446775

CC1(C)c2ccccc2-c2cccc(Nc3ccc(-n4c5ccccc5c5ccccc54)cc3)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.38
▸ ATM Q13315 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MEN1 O00255 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CDC25B P30305 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HDAC4 P56524 1/20 0.32

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
SCHEMBL21446188 0.88 KDM4E (0.37) KDM4EATML3MBTL1MEN1MAPT
SCHEMBL21446776 0.86 KDM4E (0.37) KDM4EATML3MBTL1MEN1MAPT
SCHEMBL14681303 0.84 KDM4E (0.37) KDM4EATML3MBTL1MEN1MAPT
SCHEMBL21446202 0.83 HDAC4 (0.38) KDM4EATML3MBTL1MEN1MAPT
SCHEMBL23423888 0.83 HDAC4 (0.38) KDM4EATML3MBTL1MEN1MAPT
SCHEMBL2859104 0.83 ATM (0.35) KDM4EATML3MBTL1MEN1MAPT
SCHEMBL21446736 0.83 RAB9A (0.32) ATMALDH1A1RAB9ATP53CYP3A4
SCHEMBL21446426 0.83 KDM4E (0.36) KDM4EATML3MBTL1MEN1MAPT
SCHEMBL25125395 0.82 ALDH1A1 (0.33) KDM4EATML3MBTL1MEN1MAPT
SCHEMBL21446732 0.82 KDM4E (0.39) KDM4EATML3MBTL1GLAALDH1A1

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-2019192954-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-10-10 — — WO disclosed
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