SCHEMBL5312907

SCHEMBL5312907

O=C(O)c1ccc(N2CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)nn1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MGLL Q99685 1/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.39
SCD O00767 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL936462 0.87 SMN1; SMN2 (0.53) HPGDHTTCA12CA1CA2
SCHEMBL5308940 0.81 SCD (0.58) KMT2ASCD
SCHEMBL5309233 0.80 SCD (0.60) SCD
SCHEMBL5312910 0.78 HPGD (0.42) HPGDHTTCA12CA1CA2
SCHEMBL5315099 0.78 HPGD (0.39) HPGDHTTCA12CA1CA2
SCHEMBL5308957 0.76 SCD (0.55) HPGDSCD
SCHEMBL19174856 0.74 POLB (0.66) HPGDHTTCA12CA1CA2
SCHEMBL27544619 0.73 POLB (0.64) HPGDHTTCA12CA1CA2
SCHEMBL5306153 0.72 DCTPP1 (0.49) SCD
SCHEMBL5315102 0.71 HPGD (0.36) HPGDHTTCA12CA1CA2

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