SCHEMBL28652107

SCHEMBL28652107

Cc1cc(Br)cc(C(=O)ON)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
PKM P14618 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 5/20 0.35
ATM Q13315 1/20 0.34
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
AKR1C4 P17516 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32

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
SCHEMBL28507481 0.85 HSD17B10 (0.43) KDM4EHSD17B10MAPTATMHPGD
SCHEMBL28532275 0.84 KDR (0.39) KDM4EPKMHSD17B10MAPTNPC1
SCHEMBL1229320 0.83 KDM4E (0.43) KDM4EPKMHSD17B10MAPTKMT2A
SCHEMBL20140708 0.79 LCK (0.38) KDM4EPKMHSD17B10MAPT
SCHEMBL28708200 0.78 CYP3A4 (0.35) KDM4EHSD17B10HPGDKMT2AALDH1A1
SCHEMBL29548189 0.76 AKR1C3 (0.50) KDM4EHSD17B10HPGDMEN1KMT2A
SCHEMBL1071109 0.76 AKR1C3 (0.50) KDM4EHSD17B10HPGDMEN1KMT2A
SCHEMBL25994225 0.76 SMN1; SMN2 (0.40) KDM4EPKMHSD17B10MAPTNPC1
SCHEMBL27479609 0.75 LOXL2 (0.36) KDM4EHSD17B10MAPTHPGDALDH1A1
SCHEMBL1518477 0.70 KMT2A (0.57) NPC1HPGDMEN1KMT2AALDH1A1

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
CN-113527275-A SKLB1039 compound and preparation method and application thereof 成都师范学院 2021-10-22 CN disclosed