SCHEMBL28148693

SCHEMBL28148693

COC(=O)Cc1ccccc1C(C(C)=O)c1ccnc(SC)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
ACACB O00763 1/20 0.33
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
POLB P06746 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31

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
SCHEMBL15524398 0.76 MTNR1A (0.38) L3MBTL1ACACBKMT2AKDM4EALDH1A1
SCHEMBL15524202 0.71 ACACB (0.45) ACACBKMT2AKDM4EALDH1A1HSD17B10
SCHEMBL22924834 0.70 KMT2A (0.44) KMT2AKDM4EALDH1A1MAPTALOX15
SCHEMBL28844953 0.68 KDM4E (0.42) L3MBTL1KDM4EALDH1A1HSD17B10MAPT
SCHEMBL7614766 0.67 L3MBTL1 (0.45) L3MBTL1MAPK9MAPK10ACACBKMT2A
SCHEMBL13712986 0.67 LPAR1 (0.52) L3MBTL1KMT2AKDM4ESMN1; SMN2
SCHEMBL24895604 0.66 ALDH1A1 (0.37) L3MBTL1MAPK9MAPK10ACACBKMT2A
SCHEMBL3512822 0.66 MAPK9 (0.38) L3MBTL1MAPK9MAPK10ACACBKMT2A
SCHEMBL13033123 0.66 MAPK9 (0.38) L3MBTL1MAPK9MAPK10ACACBKMT2A
SCHEMBL28724266 0.66 KDM4E (0.43) L3MBTL1KMT2AKDM4EALDH1A1HSD17B10

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-106986832-A Vegfr3 inhibitor 癌症治疗合作研究中心有限公司 2017-07-28 CN disclosed