SCHEMBL4091695

SCHEMBL4091695

CC(C)(NC(=O)c1cc2[nH]nc(NC(=O)c3ccco3)c2o1)c1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 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
SCHEMBL4084047 0.88 AURKA (0.42)
SCHEMBL4082088 0.86 SMN1; SMN2 (0.41) MAPK1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL653335 0.84 FADS1 (0.36) MAPK1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL653354 0.84 RXFP1 (0.38) SMN1; SMN2RAB9ANPC1ALDH1A1KDM4E
SCHEMBL13850096 0.83 AURKA (0.39)
SCHEMBL652599 0.82 MEN1 (0.41) SMN1; SMN2RAB9ANPC1ALDH1A1MEN1
SCHEMBL652592 0.80 PPARG (0.35) SMN1; SMN2RAB9ANPC1ALDH1A1KMT2A
SCHEMBL4083477 0.79 AURKA (0.42) MAPK1SMN1; SMN2RAB9ANPC1ALDH1A1
SCHEMBL4088412 0.79 ABL1 (0.51) RAB9AALDH1A1KDM4EMAPT
SCHEMBL4082899 0.79 AURKA (0.60)

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