SCHEMBL20146924

SCHEMBL20146924

CCc1cc(C)c(CC)nc1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PSMB5 P28074 1/20 0.42
▸ NOS3 P29474 2/20 0.38
▸ NOS2 P35228 2/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ APBA1 Q02410 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HEXA P06865 2/20 0.32
▸ HEXB P07686 2/20 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
SCHEMBL16390153 0.85 PSMB5 (0.47) KMT2AMEN1L3MBTL1PSMB5NOS3
SCHEMBL8286283 0.73 MAPK1 (0.40) KMT2AMEN1L3MBTL1NOS3NOS2
SCHEMBL9770020 0.70 GRIN2D (0.43) KMT2ANOS3NOS2NOS1ALDH1A1
SCHEMBL13473988 0.70 ATM (0.46) KMT2APSMB5NOS3NOS2NOS1
SCHEMBL13197746 0.70 ATM (0.42) KMT2AMEN1PSMB5KDM4EALDH1A1
SCHEMBL14488757 0.70 PSMB5 (0.44) KMT2AMEN1PSMB5ATMNPC1
SCHEMBL15581736 0.70 ATM (0.54) KMT2AMEN1PSMB5KDM4EALDH1A1
SCHEMBL834352 0.68 KDM4E (0.45) KMT2AMEN1L3MBTL1PSMB5KDM4E
SCHEMBL10392532 0.68 NOS3 (0.39) NOS3NOS2NOS1ALDH1A1HIF1A
SCHEMBL22165787 0.68 KDM4E (0.41) KMT2AMEN1L3MBTL1KDM4EALDH1A1

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
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 — — EP disclosed
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