SCHEMBL5741223

SCHEMBL5741223

O=C(O)c1c(NC(=O)C2CCCCC2)sc2c1CCCC2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 1/20 0.69
PTPN1 P18031 3/20 0.66
KDM4E B2RXH2 2/20 0.66
MAPT P10636 2/20 0.66
HSD17B10 Q99714 1/20 0.66
PTPRC P08575 1/20 0.63
PTPN2 P17706 1/20 0.63
PTPRB P23467 1/20 0.63
PTPRE P23469 1/20 0.63
PTPN6 P29350 1/20 0.63
CNR2 P34972 2/20 0.62
CNR1 P21554 1/20 0.62
ALDH1A1 P00352 4/20 0.59
RAB9A P51151 4/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
NPC1 O15118 2/20 0.59
GAA P10253 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ABCC1 P33527 2/20 0.55

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
SCHEMBL3914277 0.94 FLT3 (0.77) FLT3PTPN1KDM4EMAPTHSD17B10
SCHEMBL8290415 0.88 FLT3 (0.90) FLT3KDM4EMAPTHSD17B10CNR2
SCHEMBL3126680 0.88 FLT3 (0.90) FLT3KDM4EMAPTHSD17B10CNR2
SCHEMBL3128067 0.86 FLT3 (0.92) FLT3KDM4EMAPTHSD17B10CNR2
SCHEMBL3803667 0.85 CNR2 (0.68) FLT3KDM4EMAPTHSD17B10CNR2
SCHEMBL24426878 0.85 KDM4E (0.64) FLT3KDM4EMAPTHSD17B10CNR2
SCHEMBL8288684 0.85 FLT3 (0.90) FLT3KDM4EMAPTHSD17B10CNR2
SCHEMBL3760411 0.84 PTPN1 (0.67) FLT3PTPN1KDM4EMAPTHSD17B10
SCHEMBL29403396 0.84 ALDH1A1 (0.76) FLT3PTPN1MAPTPTPRCPTPN2
SCHEMBL5455726 0.83 FLT3 (0.97) FLT3KDM4EMAPTHSD17B10ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670804-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC Biotech AG (DE) 2006-06-21 EP disclosed
WO-2005023818-A2 HETEROBICYCLIC COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS GPC BIOTECH AG (DE) 2005-03-17 WO disclosed