SCHEMBL4083272

SCHEMBL4083272

COc1ccccc1C(C)(C)NC(=O)c1cc2[nH]nc(NC(=O)c3cccs3)c2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.47
KMT2A Q03164 8/20 0.44
MEN1 O00255 6/20 0.44
MAPT P10636 5/20 0.44
TP53 P04637 2/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
HPGD P15428 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
RAB9A P51151 4/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.41
GAA P10253 2/20 0.41
NPC1 O15118 2/20 0.41
LMNA P02545 1/20 0.41
ELANE P08246 1/20 0.41
KLK7 P49862 1/20 0.41

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
SCHEMBL13850061 0.88 AURKA (0.46) KMT2AMEN1MAPTTP53ALDH1A1
SCHEMBL4083197 0.87 SMN1; SMN2 (0.41) KMT2AMEN1MAPTTP53ALDH1A1
SCHEMBL4082088 0.87 SMN1; SMN2 (0.41) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL4088294 0.85 RAB9A (0.41) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL4088416 0.84 LMNA (0.42) KMT2AMEN1MAPTTP53KDM4E
SCHEMBL651489 0.82 RXFP1 (0.47) APLNRKMT2AMEN1MAPTALDH1A1
SCHEMBL4093020 0.81 CDC7 (0.44) MAPTTP53RAB9ASMN1; SMN2NPC1
SCHEMBL4086290 0.80 MAPT (0.40) KMT2AMEN1MAPTTP53ALDH1A1
SCHEMBL739810 0.80 APLNR (0.47) APLNRKMT2AMEN1MAPTTP53
SCHEMBL4083484 0.79 SMN1; SMN2 (0.51) KMT2AMEN1MAPTTP53ALDH1A1

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
EP-2058315-A1 1H-Furo[3,2-C]Pyrazoles active as aurora kinase inhibitors Nerviano Medical Sciences S.r.l. (IT) 2009-05-13 EP disclosed