SCHEMBL4087457

SCHEMBL4087457

Cc1ccc(C(=O)Nc2n[nH]c3cc(C(=O)O)oc23)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.47
RAB9A P51151 9/20 0.46
NPC1 O15118 8/20 0.46
NR0B1 P51843 1/20 0.46
PKM P14618 5/20 0.45
MAPT P10636 5/20 0.45
POLB P06746 3/20 0.45
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 6/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
ATM Q13315 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
CASP1 P29466 1/20 0.43

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
SCHEMBL4078785 0.83 AURKA (0.42) KLK7RAB9ANPC1NR0B1PKM
SCHEMBL4088557 0.83 SMN1; SMN2 (0.48) RAB9ANPC1MAPTPOLBHTT
SCHEMBL4081816 0.82 MAPT (0.47) RAB9ANPC1PKMMAPTPOLB
SCHEMBL4088564 0.82 MAPT (0.48) RAB9ANPC1PKMMAPTHSD17B10
SCHEMBL4078618 0.82 CDK7 (0.35) RAB9ANPC1NR0B1PKMMAPT
SCHEMBL4083540 0.81 FGFR1 (0.50) RAB9ANPC1HTT
SCHEMBL4089305 0.81 NPC1 (0.42) RAB9ANPC1MAPTPOLBTSHR
SCHEMBL4086303 0.81 MAPK1 (0.49) RAB9ANPC1PKMMAPTPOLB
SCHEMBL4088647 0.80 PKM (0.46) RAB9ANPC1PKMMAPTPOLB
SCHEMBL4078720 0.80 SMN1; SMN2 (0.46) RAB9ANPC1PKMMAPTPOLB

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