SCHEMBL16986929

SCHEMBL16986929

O=C(Nc1c[nH]nc1C(=O)Nc1ccc(F)cc1)c1ccccc1OCCC1CCCN1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.43
▸ RECQL P46063 1/20 0.42
▸ RXFP1 Q9HBX9 3/20 0.41
▸ CHRM3 P20309 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL959315 0.82 RXFP1 (0.57) PKMRECQLRXFP1KDM4EMEN1
SCHEMBL956847 0.77 MAPT (0.53) RECQLRXFP1KDM4EMEN1ALDH1A1
SCHEMBL955495 0.75 LMNA (0.66) KDM4EMEN1KMT2A
SCHEMBL8220374 0.74 KDM4E (0.62) KDM4EMEN1KMT2A
SCHEMBL954020 0.73 KMT2A (0.52) RECQLRXFP1KDM4EMEN1ALDH1A1
SCHEMBL6055037 0.71 MEN1 (0.53) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL953001 0.71 JAK2 (0.45) PKMRECQLRXFP1KDM4EMEN1
SCHEMBL954639 0.71 RAB9A (0.64) RXFP1MEN1ALDH1A1KMT2A
SCHEMBL8215155 0.70 NPC1 (0.51) PKMKDM4E
SCHEMBL956108 0.70 MEN1 (0.59) MEN1ALDH1A1KMT2A

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-1845973-B1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LTD (GB) 2015-08-12 — — EP disclosed
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