SCHEMBL4087183

SCHEMBL4087183

CCCOC(=O)c1cc2c(o1)c(NC(=O)c1ccco1)nn2C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 6/20 0.45
NPC1 O15118 4/20 0.45
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA1 Q15788 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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
SCHEMBL4078418 0.87 HTT (0.43) RAB9AALDH1A1KDM4ENPC1MAPT
SCHEMBL4084062 0.86 ALDH1A1 (0.51) RAB9AALDH1A1KDM4ENPC1MAPT
SCHEMBL4083862 0.85 TAS1R3 (0.38) RAB9AALDH1A1KDM4ENPC1MAPT
SCHEMBL4078532 0.84 RAB9A (0.39) RAB9AALDH1A1KDM4ENPC1MAPT
SCHEMBL4078553 0.84 KDM4E (0.44) RAB9AALDH1A1KDM4ENPC1MAPT
SCHEMBL4083252 0.84 PTK2 (0.37) RAB9AALDH1A1KDM4ENPC1MAPT
SCHEMBL4083791 0.84 LMNA (0.44) RAB9AALDH1A1KDM4ENPC1MAPT
SCHEMBL4087253 0.84 CASP3 (0.38) RAB9AALDH1A1KDM4ENPC1MAPT
SCHEMBL4081200 0.83 MAPT (0.45) RAB9AALDH1A1KDM4ENPC1MAPT
SCHEMBL4091779 0.83 LMNA (0.44) RAB9AALDH1A1KDM4EMAPTNPSR1

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