SCHEMBL7910018

SCHEMBL7910018

CCc1c(C(=O)O)ccc([N+](=O)[O-])c1NC(=O)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
PKM P14618 2/20 0.49
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.43
KDM4E B2RXH2 3/20 0.42
EPHX2 P34913 1/20 0.41
RAB9A P51151 2/20 0.41
KDM6B O15054 1/20 0.41
KDM4D Q6B0I6 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
GLS O94925 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL7598810 0.88 RAB9A (0.56) L3MBTL1ALDH1A1GAAKMT2ALMNA
SCHEMBL7596229 0.86 KMT2A (0.42) L3MBTL1ALDH1A1SMN1; SMN2GAAKMT2A
SCHEMBL7593569 0.85 RAB9A (0.54) ALDH1A1SMN1; SMN2GAAKMT2ALMNA
SCHEMBL7596218 0.84 LMNA (0.43) L3MBTL1PKMSMN1; SMN2GAAKMT2A
SCHEMBL7916876 0.83 POLB (0.48) L3MBTL1PKMALDH1A1SMN1; SMN2GAA
SCHEMBL7594895 0.82 RAB9A (0.49) ALDH1A1GAAKMT2ALMNARAB9A
SCHEMBL7594505 0.82 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2GAAKMT2ALMNA
SCHEMBL7593575 0.82 KDM4C (0.42) L3MBTL1PKMALDH1A1SMN1; SMN2KMT2A
SCHEMBL7596958 0.82 KDM4E (0.46) ALDH1A1GAAKMT2ALMNAKDM4E
SCHEMBL4609558 0.81 ALDH1A1 (0.54) L3MBTL1PKMALDH1A1SMN1; SMN2GAA

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-6211177-B1 SIDE EFFECT REDUCTION CELL PATHWAYS, INC. 2001-04-03 US disclosed