SCHEMBL19496930

SCHEMBL19496930

CN(C)Cc1cccc(-c2ccc(C(=O)N3CCN(C(=O)OCc4ccccc4)CC3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 2/20 0.52
▸ POLB P06746 2/20 0.51
▸ LMNA P02545 3/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ GAA P10253 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ FLT3 P36888 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL11367657 0.88 AOC3 (0.70) AOC3
SCHEMBL11360485 0.82 AOC3 (0.52) AOC3LMNAMEN1KMT2AALDH1A1
SCHEMBL11363728 0.80 AOC3 (0.75) AOC3
SCHEMBL2577808 0.79 KMT2A (0.64) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL19496931 0.78 AOC3 (0.56) AOC3POLBLMNAMEN1KMT2A
SCHEMBL23301380 0.78 KMT2A (0.59) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL693919 0.76 SMN1; SMN2 (0.51) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL95957 0.76 KMT2A (0.57) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL22290359 0.76 MEN1 (0.56) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL23301111 0.75 MGLL (0.56) POLBLMNAMEN1KMT2AALDH1A1

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-2479165-B1 GLYCINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 — — EP disclosed
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