SCHEMBL4728696

SCHEMBL4728696

CCS(=O)(=O)c1ccc2nc(-c3ccc4ccccc4c3)cn2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
LMNA P02545 1/20 0.48
HDAC6 Q9UBN7 2/20 0.48
CYP1A2 P05177 1/20 0.48
AHR P35869 1/20 0.48
UTRN P46939 1/20 0.48
ALDH1A1 P00352 9/20 0.46
NPC1 O15118 4/20 0.46
HPGD P15428 4/20 0.46
RAB9A P51151 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HSD17B10 Q99714 3/20 0.46
GFER P55789 2/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.44
HSP90AA1 P07900 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL4842127 0.82 ALDH1A1 (0.57) KDM4ELMNAHDAC6ALDH1A1NPC1
SCHEMBL4727646 0.81 NPC1 (0.61) KDM4EHDAC6ALDH1A1NPC1HPGD
SCHEMBL1691846 0.78 NPC1 (0.68) KDM4ELMNAALDH1A1NPC1HPGD
SCHEMBL4886789 0.78 ALDH1A3 (0.43) KDM4ELMNAALDH1A1NPC1HPGD
SCHEMBL4729886 0.76 APP (0.64) KDM4ELMNACYP1A2ALDH1A1NPC1
SCHEMBL3739961 0.75 CA1 (0.64) KDM4ELMNAHDAC6CYP1A2AHR
SCHEMBL13325714 0.74 RAB9A (0.69) KDM4ELMNAALDH1A1NPC1HPGD
SCHEMBL1472271 0.74 NPC1 (0.63) KDM4ELMNAALDH1A1NPC1HPGD
SCHEMBL4726593 0.72 ALDH1A1 (0.74) KDM4ECYP1A2UTRNALDH1A1NPC1
SCHEMBL13325743 0.72 RAB9A (0.68) KDM4EHDAC6ALDH1A1NPC1HPGD

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
WO-2008029152-A2 TREATMENT OF DUCHENNE MUSCULAR DYSTROPHY SUMMIT CORPORATION PLC (GB) 2008-03-13 WO disclosed