SCHEMBL28043871

SCHEMBL28043871

CCOC(=O)C1=C(C)NC(S(=O)(=O)O)NC1c1cccc(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.62
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
DHFR P00374 2/20 0.44
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GUSB P08236 1/20 0.42
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL28043927 0.85 DHFR (0.45) KIF11POLBSMN1; SMN2NPSR1DHFR
SCHEMBL29155697 0.83 KIF11 (0.66) KIF11POLBSMN1; SMN2NPSR1DHFR
SCHEMBL5341216 0.77 KIF11 (1.00) KIF11POLBSMN1; SMN2NPSR1ALDH1A1
S-Menastrol SCHEMBL74457 0.76 KIF11 (0.77) KIF11POLBDHFRALDH1A1GUSB
Monastrol SCHEMBL3168349 0.76 KIF11 (0.77) KIF11POLBDHFRALDH1A1GUSB
SCHEMBL17323002 0.76 KIF11 (0.77) KIF11POLBSMN1; SMN2NPSR1DHFR
SCHEMBL28577481 0.74 KIF11 (0.73) KIF11POLBSMN1; SMN2NPSR1DHFR
SCHEMBL27971495 0.73 HTT (0.46) HTT
SCHEMBL11785984 0.72 KDM4E (0.70) KIF11POLBSMN1; SMN2ALDH1A1MAPK1
SCHEMBL27971359 0.72 USP2 (0.41) DHFRALDH1A1HSD17B10GUSBCA1

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
CN-105188918-A Use of particular metal accumulating plants for carrying out catalytic chemical reactions CENTRE NAT RECH SCIENT 2015-12-23 CN claimed
CN-105188918-A Use of particular metal accumulating plants for carrying out catalytic chemical reactions CENTRE NAT RECH SCIENT 2015-12-23 CN disclosed