SCHEMBL7174674

SCHEMBL7174674

O=C(NNC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
ALDH1A1 P00352 2/20 0.70
RAB9A P51151 2/20 0.70
NPC1 O15118 2/20 0.70
PARP1 P09874 1/20 0.61
KCNK3 O14649 1/20 0.61
KCNK9 Q9NPC2 1/20 0.61
TLR7 Q9NYK1 1/20 0.60
KCNMA1 Q12791 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
GAA P10253 2/20 0.57
HTT P42858 1/20 0.57
FLT1 P17948 1/20 0.57
FLT4 P35916 1/20 0.57
KDR P35968 1/20 0.57
PKM P14618 1/20 0.57

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
SCHEMBL15137067 0.92 MEN1 (0.67) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL31456323 0.91 MEN1 (0.60) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL8731678 0.88 PARP1 (0.58) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL9106376 0.88 KMT2A (0.70) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL11589747 0.88 MEN1 (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL11064749 0.87 PKM (0.67) ALDH1A1PARP1KCNK3KCNK9KCNMA1
SCHEMBL14527269 0.86 NPC1 (0.71) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL12218087 0.86 ALDH1A1 (0.73) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL6674303 0.85 KDM4E (0.62) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL5925632 0.84 MEN1 (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A

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-2003007955-A2 BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-30 WO claimed