SCHEMBL17622717

SCHEMBL17622717

CCOC(=O)N1CCN(c2ncnc(N[C@H](C)COC)c2C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ TSHR P16473 2/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ POLB P06746 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ LMNA P02545 4/20 0.43
▸ HPGD P15428 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ IDE P14735 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 5/20 0.42
▸ HTT P42858 2/20 0.42
▸ GALR2 O43603 1/20 0.42
▸ P2RY12 Q9H244 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ NOS1 P29475 1/20 0.39

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
SCHEMBL17622705 0.83 KDM1A (0.44) POLBALDH1A1KDM4EKMT2AMEN1
SCHEMBL17623034 0.81 TP53 (0.38) MAPK1ALDH1A1LMNAKDM4EKMT2A
SCHEMBL17623259 0.80 TP53 (0.42) TSHRALDH1A1HPGDKDM4EKMT2A
SCHEMBL17622700 0.74 MAPT (0.50) MAPTSMN1; SMN2TSHRRXFP1POLB
SCHEMBL17623049 0.73 ACACB (0.36) KDM4EKMT2AMEN1
SCHEMBL30297596 0.71 MAPT (0.52) MAPTSMN1; SMN2TSHRRXFP1POLB
SCHEMBL16091163 0.69 TP53 (0.45) SMN1; SMN2ALDH1A1LMNAKDM4EKMT2A
SCHEMBL11235006 0.69 MAPT (0.69) MAPTSMN1; SMN2TSHRRXFP1POLB
SCHEMBL16091174 0.69 TP53 (0.43) SMN1; SMN2ALDH1A1LMNAHPGDKDM4E
SCHEMBL2273815 0.68 MAPT (0.61) MAPTSMN1; SMN2TSHRRXFP1POLB

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-2016044641-A2 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 — — WO disclosed
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