SCHEMBL10384677

SCHEMBL10384677

CC12CCCC1C(=O)C(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C(=O)C2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.41
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL8698289 0.78 HPGD (0.40) HPDMEN1PKMKMT2ASMN1; SMN2
SCHEMBL10384185 0.77 MAPT (0.43) MEN1PKMKMT2ASMN1; SMN2POLB
SCHEMBL9711461 0.76 HPD (0.42) HPDMEN1PKMKMT2ASMN1; SMN2
SCHEMBL10384024 0.76 MAPT (0.42) MEN1PKMKMT2ASMN1; SMN2POLB
SCHEMBL9240067 0.76 HPD (0.46) HPDMEN1PKMKMT2ASMN1; SMN2
SCHEMBL9191354 0.75 HPD (0.67) HPDMEN1PKMKMT2ASMN1; SMN2
SCHEMBL8011992 0.74 HPD (0.43) HPDMEN1PKMKMT2ASMN1; SMN2
SCHEMBL9239236 0.74 HPD (0.45) HPDMEN1PKMKMT2ASMN1; SMN2
SCHEMBL9711473 0.73 HPD (0.43) HPDMEN1PKMKMT2ASMN1; SMN2
SCHEMBL10384189 0.73 HPD (0.44) 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-4921526-A Substituted bicycloakly-1,3-diones SANDOZ LTD. (CH) 1990-05-01 US disclosed