SCHEMBL21177306

SCHEMBL21177306

CCOC(=O)c1oc(Cl)nc1CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
MAOB P27338 1/20 0.39
TARBP2 Q15633 2/20 0.39
KDM4E B2RXH2 6/20 0.38
AHR P35869 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HSP90AA1 P07900 1/20 0.38
FBP1 P09467 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL12323577 0.84 PLK1 (0.44) PLK1CYP4F2CYP4A11MAOBTARBP2
SCHEMBL779128 0.80 TARBP2 (0.42) TARBP2KDM4EAHRHSD17B10ALDH1A1
SCHEMBL2691856 0.77 ALDH1A1 (0.51) MAOBTARBP2KDM4EALDH1A1MAPT
SCHEMBL26984654 0.75 TARBP2 (0.45) PLK1CYP4F2CYP4A11MAOBTARBP2
SCHEMBL2692459 0.74 SMN1; SMN2 (0.49) KDM4EHSD17B10ALDH1A1MAPTNPC1
SCHEMBL9750624 0.74 KDM4E (0.45) TARBP2KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL3532745 0.73 NPC1 (0.40) PLK1KDM4EHSD17B10ALDH1A1MAPT
SCHEMBL3536411 0.72 TARBP2 (0.62) MAOBTARBP2KDM4EHSD17B10ALDH1A1
SCHEMBL23214404 0.71 FBP1 (0.50) KDM4EAHRHSD17B10ALDH1A1MAPT
SCHEMBL23214485 0.71 TARBP2 (0.40) PLK1MAOBTARBP2KDM4EAHR

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
WO-2019142053-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2019-07-25 WO disclosed
WO-2019142053-A2 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2019-07-25 WO disclosed