SCHEMBL4088294

SCHEMBL4088294

CC(C)(NC(=O)c1cc2[nH]nc(NC(=O)c3cccs3)c2o1)c1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 5/20 0.41
KDM4E B2RXH2 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
MAPK1 P28482 2/20 0.39
STK33 Q9BYT3 2/20 0.39
KMT2A Q03164 6/20 0.38
MAPT P10636 1/20 0.38
ABL1 P00519 2/20 0.38
MEN1 O00255 3/20 0.37
POLB P06746 2/20 0.37
GAPDH P04406 1/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL4082088 0.92 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2NPC1KDM4EMAPK1
SCHEMBL13850061 0.85 AURKA (0.46) RAB9ASMN1; SMN2NPC1KDM4ENFKB1
SCHEMBL4083272 0.85 APLNR (0.47) RAB9ASMN1; SMN2NPC1KDM4EMAPK1
SCHEMBL4083197 0.84 SMN1; SMN2 (0.41) RAB9ASMN1; SMN2NPC1MAPK1STK33
SCHEMBL4088416 0.83 LMNA (0.42) RAB9ASMN1; SMN2NPC1KDM4EMAPK1
SCHEMBL4084047 0.81 AURKA (0.42) HTT
SCHEMBL651489 0.80 RXFP1 (0.47) RAB9ASMN1; SMN2NPC1KDM4EMAPK1
SCHEMBL4083484 0.78 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2NPC1KDM4ENFKB1
SCHEMBL4091695 0.78 MAPK1 (0.45) RAB9ASMN1; SMN2NPC1KDM4EMAPK1
SCHEMBL653335 0.78 FADS1 (0.36) RAB9ASMN1; SMN2NPC1KDM4EMAPK1

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