SCHEMBL13428204

SCHEMBL13428204

Cc1ccc(N2C(=O)c3cccc4c(N)c(S(=O)(=O)O)cc(c34)C2=O)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLTC Q00610 2/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
USP2 O75604 4/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.41
RECQL P46063 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
RGS12 O14924 1/20 0.41
BRD1 O95696 7/20 0.40
BRPF1 P55201 7/20 0.40
BRD4 O60885 2/20 0.40
POLB P06746 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
SCHEMBL9006319 0.86 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2MAPK1MEN1
SCHEMBL29365854 0.85 ALDH1A1 (0.54) CLTCALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL9352299 0.85 ALDH1A1 (0.54) CLTCALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL2474686 0.79 KMT2A (0.68) ALDH1A1LMNASMN1; SMN2MAPK1MEN1
SCHEMBL29385571 0.79 KMT2A (0.68) ALDH1A1LMNASMN1; SMN2MAPK1MEN1
SCHEMBL13656063 0.78 CLTC (0.45) CLTCALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL12203015 0.77 SMN1; SMN2 (0.59) ALDH1A1LMNASMN1; SMN2MAPK1MEN1
SCHEMBL14635686 0.77 CLTC (0.76) CLTCALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL14636147 0.75 CLTC (0.63) CLTCALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL1502440 0.73 CLTC (0.64) CLTCALDH1A1SMN1; SMN2MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8766238-B2 Polymeric anions/cations MERCK PATENT GMBH (DE) 2014-07-01 US disclosed
US-8766238-B2 Polymeric anions/cations MERCK PATENT GMBH (DE) 2014-07-01 US disclosed
US-20100059740-A1 POLYMERIC ANIONS/CATIONS MERCK PATENT GMBH (DE) 2010-03-11 US disclosed