SCHEMBL4081816

SCHEMBL4081816

Cc1cc(C(=O)Nc2n[nH]c3cc(C(=O)O)oc23)c(C)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
HPGD P15428 2/20 0.47
RAB9A P51151 8/20 0.45
NPC1 O15118 7/20 0.45
RECQL P46063 2/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
POLB P06746 3/20 0.44
APOBEC3A P31941 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
KDM4E B2RXH2 4/20 0.43
LMNA P02545 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.41
PKM P14618 1/20 0.40

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
SCHEMBL4078720 0.84 SMN1; SMN2 (0.46) MAPTHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL4078482 0.83 HPGD (0.46) MAPTHPGDRAB9ANPC1RECQL
SCHEMBL4087457 0.82 KLK7 (0.47) MAPTHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL4088557 0.82 SMN1; SMN2 (0.48) MAPTHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL4088564 0.81 MAPT (0.48) MAPTHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL4088647 0.79 PKM (0.46) MAPTHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL4078618 0.79 CDK7 (0.35) MAPTRAB9ANPC1SMN1; SMN2POLB
SCHEMBL2904998 0.78 GPR35 (0.47) HPGDRAB9ANPC1SMN1; SMN2POLB
SCHEMBL651126 0.78 NPC1 (0.41) MAPTHPGDRAB9ANPC1SMN1; SMN2
SCHEMBL4088612 0.78 NPC1 (0.48) MAPTHPGDRAB9ANPC1SMN1; SMN2

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