SCHEMBL728638

SCHEMBL728638

CCOC(=O)Cc1[nH]c2ccccc2c1C(=O)C(=O)OCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 4/20 0.52
PKM P14618 1/20 0.51
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 8/20 0.44
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
MAPT P10636 4/20 0.44
HCRTR1 O43613 1/20 0.44
RAB9A P51151 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44
GAA P10253 1/20 0.44
ALOX5 P09917 1/20 0.43
HPGD P15428 1/20 0.43
NR4A2 P43354 1/20 0.43
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL4534138 0.90 KDM4E (0.55) KDM4ELMNASMN1; SMN2PKMHSD17B10
SCHEMBL16669624 0.86 KDM4E (0.57) KDM4ELMNASMN1; SMN2PKMHSD17B10
SCHEMBL28819201 0.82 KDM4E (0.58) KDM4ELMNASMN1; SMN2PKMHSD17B10
SCHEMBL729020 0.82 NR4A2 (0.59) LMNASMN1; SMN2PKMHSD17B10ALDH1A1
SCHEMBL15655586 0.81 KDM4E (0.52) KDM4ELMNASMN1; SMN2PKMHSD17B10
SCHEMBL735160 0.81 KDM4E (0.54) KDM4ELMNASMN1; SMN2PKMHSD17B10
SCHEMBL10840435 0.80 ALDH1A1 (0.63) KDM4ELMNAHSD17B10ALDH1A1KMT2A
SCHEMBL16110074 0.78 TUBB4A (0.61) KDM4EPKMHSD17B10ALDH1A1MAPT
SCHEMBL29744098 0.77 KDM4E (0.53) KDM4ELMNASMN1; SMN2PKMHSD17B10
SCHEMBL19193162 0.75 KDM4E (0.60) KDM4ELMNASMN1; SMN2PKMHSD17B10

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-8138173-B2 Pyrazolo[3,4-C]quinolines, pyrazolo[3,4-C]naphthyridines, analogs thereof, and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-03-20 US disclosed