SCHEMBL4626318

SCHEMBL4626318

Cc1ccc(-n2cccc2C(=O)O)c(C)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 3/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RECQL P46063 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRIA4 P48058 3/20 0.36
GRIA2 P42262 2/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 2/20 0.34
GLA P06280 1/20 0.34
NOTUM Q6P988 2/20 0.34

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
SCHEMBL4658534 0.72 POLB (0.53) POLBAPEX1TDP1L3MBTL1KMT2A
SCHEMBL4540551 0.70 POLB (0.50) POLBAPEX1TDP1L3MBTL1KDM4E
SCHEMBL3107355 0.69 NOTUM (0.40) KMT2AKDM4EALOX15HSD17B10CYP1A2
SCHEMBL4543897 0.67 POLB (0.50) POLBAPEX1TDP1L3MBTL1KMT2A
SCHEMBL4543818 0.65 POLB (0.65) POLBAPEX1TDP1L3MBTL1KMT2A
SCHEMBL7230982 0.65 NOTUM (0.51) POLBAPEX1TDP1L3MBTL1KMT2A
SCHEMBL7630480 0.64 RECQL (0.57) POLBAPEX1TDP1L3MBTL1KMT2A
SCHEMBL18921488 0.63 PGR (0.47)
SCHEMBL4543294 0.63 TDP1 (0.67) POLBAPEX1TDP1L3MBTL1KMT2A
SCHEMBL4540024 0.63 POLB (0.53) POLBAPEX1TDP1L3MBTL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732541-A4 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2008-03-05 EP disclosed
EP-1732541-A2 CYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
WO-2005099688-A2 CYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-27 WO disclosed