SCHEMBL2663176

SCHEMBL2663176

N=N/C(=N\N)NC(=O)c1ccc(CN(C(=O)c2ccc(Cc3ccccc3)cc2)c2ccc(N3CCCCC3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
NR1H4 Q96RI1 1/20 0.39
PDK1 Q15118 1/20 0.39
STAT3 P40763 2/20 0.39
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
CNR2 P34972 2/20 0.37
PTGES O14684 2/20 0.37
ALOX5 P09917 2/20 0.37
CNR1 P21554 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TPH1 P17752 2/20 0.37
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL2663383 0.87 KDM4E (0.37) NPC1RAB9ASMN1; SMN2MAPTTPH1
SCHEMBL2663358 0.85 STAT3 (0.55) MAPTNR1H4PDK1STAT3
SCHEMBL9072822 0.83 TPH1 (0.42) NPC1RAB9ASMN1; SMN2MAPTNR1H4
SCHEMBL2663199 0.80 HDAC1 (0.37) NPC1RAB9ASMN1; SMN2MAPTCNR2
SCHEMBL2663352 0.78 STAT3 (0.54) STAT3
SCHEMBL4090978 0.76 GCGR (0.46) NPC1RAB9ASMN1; SMN2MAPTNR1H4
SCHEMBL2663329 0.75 GCGR (0.40) RAB9ASMN1; SMN2MAPTNR1H4MEN1
SCHEMBL9072930 0.73 STAT3 (0.48) STAT3MEN1KMT2A
SCHEMBL2663375 0.73 STAT3 (0.48) STAT3
SCHEMBL2663367 0.72 STAT3 (0.47) STAT3

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-2000069810-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-11-23 WO disclosed