SCHEMBL2565730

SCHEMBL2565730

Cc1ccccc1CC(=O)Nc1ccc2c(c1)c(I)nn2C1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ ROCK2 O75116 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ AKR1B1 P15121 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ P2RY14 Q15391 1/20 0.39
▸ ANO1 Q5XXA6 1/20 0.38
▸ TTK P33981 1/20 0.38

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
SCHEMBL2573254 0.78 TTK (0.41) KMT2AMEN1TDP1ROCK2L3MBTL1
SCHEMBL5665295 0.78 BRPF1 (0.41) KMT2AMEN1TDP1L3MBTL1MAPT
SCHEMBL24638418 0.77 CA12 (0.40) ALDH1A1ACHE
SCHEMBL30049939 0.77 CA12 (0.40) ALDH1A1ACHE
SCHEMBL2565643 0.77 TTK (0.45) KMT2AMEN1TDP1ROCK2L3MBTL1
SCHEMBL14863509 0.76 HTR1E (0.49) KMT2AMEN1TDP1MAPTALDH1A1
SCHEMBL22890265 0.75 LRRK2 (0.53) —
SCHEMBL29643913 0.75 LRRK2 (0.53) —
SCHEMBL16125888 0.74 CYP4F2 (0.39) KMT2AMEN1L3MBTL1MAPTKDM4E
SCHEMBL14863468 0.74 NPY2R (0.40) KMT2AMEN1MAPTALDH1A1NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 — — WO disclosed
WO-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 — — WO disclosed
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