SCHEMBL4086290

SCHEMBL4086290

CCC(CC)(NC(=O)c1cc2[nH]nc(NC(=O)c3cccs3)c2o1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPK1 P28482 3/20 0.40
TRPA1 O75762 3/20 0.39
KMT2A Q03164 7/20 0.38
MEN1 O00255 5/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
LMNA P02545 3/20 0.38
ABL1 P00519 3/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
KDM4E B2RXH2 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAPDH P04406 1/20 0.37
PKM P14618 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
SCHEMBL13850061 0.88 AURKA (0.46) MAPTALDH1A1SMN1; SMN2MAPK1TRPA1
SCHEMBL4086381 0.84 FLT3 (0.42) SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL651489 0.82 RXFP1 (0.47) MAPTALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL4082088 0.81 SMN1; SMN2 (0.41) MAPTALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL4083197 0.81 SMN1; SMN2 (0.41) MAPTALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL4083484 0.81 SMN1; SMN2 (0.51) MAPTALDH1A1SMN1; SMN2MAPK1TRPA1
SCHEMBL4083272 0.80 APLNR (0.47) MAPTALDH1A1SMN1; SMN2MAPK1KMT2A
SCHEMBL4088416 0.80 LMNA (0.42) MAPTSMN1; SMN2MAPK1KMT2AMEN1
SCHEMBL4088635 0.80 AURKA (0.58)
SCHEMBL740053 0.79 MAPT (0.41) MAPTALDH1A1SMN1; SMN2MAPK1TRPA1

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