SCHEMBL9594451

SCHEMBL9594451

O=C1CCCC(C2CCCC(=O)C(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])C2=O)C(=O)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.47
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 4/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
MAPT P10636 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
SCHEMBL9594452 0.85 HPD (0.48) HPDMEN1PKMKMT2ASMN1; SMN2
SCHEMBL9191354 0.81 HPD (0.67) HPDMEN1PKMKMT2ASMN1; SMN2
SCHEMBL10384013 0.80 HPD (0.44) HPDMEN1PKMKMT2ASMN1; SMN2
SCHEMBL10384189 0.80 HPD (0.44) HPDMEN1PKMKMT2ASMN1; SMN2
SCHEMBL9595309 0.76 HPD (0.44) HPDMEN1PKMKMT2ASMN1; SMN2
SCHEMBL10384019 0.75 HPD (0.41) HPDMEN1PKMKMT2ASMN1; SMN2
SCHEMBL10384021 0.75 HPD (0.41) HPDMEN1PKMKMT2ASMN1; SMN2
SCHEMBL9239236 0.74 HPD (0.45) HPDMEN1PKMKMT2ASMN1; SMN2
SCHEMBL8693826 0.73 SMN1; SMN2 (0.46) HPDMEN1PKMKMT2ASMN1; SMN2
SCHEMBL9711516 0.71 HPD (0.48) HPDMEN1PKMKMT2ASMN1; SMN2

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
US-5228898-A SUBSTITUTED BICYCLOHEPTANDIONE DERIVATIVES NIPPON SODA CO., LTD. (JP) 1993-07-20 US claimed