SCHEMBL5748306

SCHEMBL5748306

NC(=O)c1ccc2[c]cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.46
PARP1 P09874 7/20 0.44
PLAU P00749 3/20 0.41
ROCK2 O75116 1/20 0.39
PIM1 P11309 1/20 0.39
PIM3 Q86V86 1/20 0.39
HSD17B10 Q99714 2/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TNKS O95271 1/20 0.38
PARP15 Q460N3 1/20 0.38
PARP14 Q460N5 1/20 0.38

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
SCHEMBL5749126 0.87 LCK (0.53) LCKPARP1PLAUHSD17B10CYP3A4
SCHEMBL5748235 0.87 LCK (0.53) LCKPARP1PLAUHSD17B10CYP3A4
SCHEMBL5748294 0.86 LCK (0.46) LCKPARP1PLAUHSD17B10TSHR
SCHEMBL5652182 0.84 PTPN1 (0.47) HSD17B10TSHRPOLBMAPTTDP1
SCHEMBL7784887 0.82 MAPT (0.50) MAPTKDM4EALDH1A1SMN1; SMN2CES2
SCHEMBL28141360 0.78 PLK1 (0.51) PLAUTSHRTDP1SMN1; SMN2PSMD14
SCHEMBL18936010 0.78 ALOX15 (0.51) LCKPLAUHSD17B10TSHRMAPT
SCHEMBL5751330 0.77 LCK (0.44) LCKPARP1PLAUROCK2PIM1
SCHEMBL5748994 0.76 PARP1 (0.43) LCKPARP1PLAUHSD17B10TSHR
SCHEMBL3242434 0.73 LCK (0.52) LCKPARP1PLAUROCK2PIM1

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
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed