SCHEMBL5312910

SCHEMBL5312910

O=C(O)c1ccc(N2C=CCN(C(=O)c3ccccc3[N+](=O)[O-])C2)nn1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
HTT P42858 3/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MGLL Q99685 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MET P08581 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL5309234 0.80 SCD (0.52)
SCHEMBL936462 0.80 SMN1; SMN2 (0.53) HPGDHTTCA12CA1CA2
SCHEMBL5315102 0.79 HPGD (0.36) HPGDHTTCA12CA1CA2
SCHEMBL5312907 0.78 HPGD (0.45) HPGDHTTCA12CA1CA2
SCHEMBL5308960 0.77 SCD (0.49)
SCHEMBL5314081 0.72 SCD (0.48)
SCHEMBL5312499 0.72 HTT (0.41) HTTCA12CA1CA2CA7
SCHEMBL5315099 0.71 HPGD (0.39) HPGDHTTCA12CA1CA2
SCHEMBL5309847 0.71 SCD (0.42)
SCHEMBL5309743 0.71 ALDH1A1 (0.48) HPGDHTTCA2SMN1; SMN2KMT2A

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