SCHEMBL5314065

SCHEMBL5314065

COC(=O)c1ccccc1C(=O)N1CCCN(c2ccc(C(=O)NCc3ccc(C)cc3)cn2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
HSP90AA1 P07900 4/20 0.42
HSP90AB1 P08238 4/20 0.42
TP53 P04637 1/20 0.42
EGLN1 Q9GZT9 2/20 0.42
LMNA P02545 3/20 0.41
MAPK14 Q16539 1/20 0.40
HPGD P15428 2/20 0.39
HDAC1 Q13547 1/20 0.39
HPGDS O60760 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL5493321 0.86 DCTPP1 (0.44) ALDH1A1KDM4ESMN1; SMN2TP53HPGD
SCHEMBL5309093 0.82 ALDH1A1 (0.51) ALDH1A1KDM4ESMN1; SMN2MAPK1RAB9A
SCHEMBL5311547 0.82 LMNA (0.46) ALDH1A1KDM4ESMN1; SMN2MAPK1RAB9A
SCHEMBL5309649 0.80 SCD (0.57) ALDH1A1KDM4ESMN1; SMN2MAPK1RAB9A
SCHEMBL5307062 0.79 SCD (0.51) ALDH1A1KDM4ESMN1; SMN2MAPK1RAB9A
SCHEMBL5307475 0.79 CA2 (0.41) ALDH1A1KDM4ESMN1; SMN2MAPK1RAB9A
SCHEMBL5312323 0.76 SCD (0.48) ALDH1A1KDM4ESMN1; SMN2MAPK1RAB9A
SCHEMBL5309833 0.74 SCD (0.53)
SCHEMBL5309660 0.73 SCD (0.56) ALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL5309872 0.73 SCD (0.49) ALDH1A1KDM4EMAPK1RAB9ALMNA

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