SCHEMBL5312015

SCHEMBL5312015

O=C(NC1CC1)c1ccc(N2CCCN(C(=O)c3ccccc3Cl)C2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HPGDS O60760 4/20 0.48
EPHX2 P34913 1/20 0.47
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
PRKAB2 O43741 2/20 0.43
PRKAG1 P54619 2/20 0.43
PRKAA2 P54646 2/20 0.43
PRKAA1 Q13131 2/20 0.43
PRKAG3 Q9UGI9 2/20 0.43
PRKAG2 Q9UGJ0 2/20 0.43
PRKAB1 Q9Y478 2/20 0.43
MGLL Q99685 1/20 0.42
RAB9A P51151 2/20 0.42
USP30 Q70CQ3 2/20 0.42

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
SCHEMBL5307494 0.86 SCD (0.57) KMT2AHPGDS
SCHEMBL5311618 0.83 ALDH1A1 (0.57) HPGDSKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5312018 0.80 TDP1 (0.46) KMT2AMEN1TDP1HPGDSEPHX2
SCHEMBL5307017 0.80 MEN1 (0.44) KMT2AMEN1TDP1HPGDSEPHX2
SCHEMBL5312488 0.75 SCD (0.47) HPGDSKDM4EALDH1A1HPGDRAB9A
SCHEMBL5359286 0.74 SCD (0.48) HPGDSKDM4EALDH1A1HPGDRAB9A
SCHEMBL5309578 0.74 SCD (0.48) HPGDSKDM4EALDH1A1HPGDRAB9A
SCHEMBL5309644 0.74 SCD (0.63) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL5307018 0.74 MEN1 (0.41) KMT2AMEN1TDP1HPGDSEPHX2
SCHEMBL5306879 0.73 SCD (0.59) KDM4E

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-2007046867-A2 PIPERIDINE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2007-04-26 WO disclosed