SCHEMBL28544499

SCHEMBL28544499

CC(=O)Oc1nc2cc(C(=O)O)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 3/20 0.47
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HSP90AA1 P07900 1/20 0.47
ESR2 Q92731 1/20 0.47
HRH3 Q9Y5N1 1/20 0.44
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
THRB P10828 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PRKAG1 P54619 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
SCHEMBL28544503 0.88 HSP90AA1 (0.61) RAB9AKDM4EALDH1A1GAATSHR
SCHEMBL6790925 0.85 TDP1 (0.49) RAB9AKDM4EALDH1A1TDP1HSP90AA1
SCHEMBL1106071 0.76 TDP1 (0.76) RAB9AKDM4EALDH1A1GAATDP1
SCHEMBL30167005 0.76 TDP1 (0.49) RAB9AKDM4EALDH1A1GAATSHR
SCHEMBL1870891 0.76 FABP6 (0.55) RAB9AKDM4EALDH1A1GAATDP1
SCHEMBL9928725 0.76 TDP1 (0.49) RAB9AKDM4EALDH1A1GAATSHR
SCHEMBL6670248 0.76 LMNA (0.53) RAB9AKDM4EALDH1A1NPC1SMN1; SMN2
SCHEMBL828113 0.76 KDM4E (0.56) RAB9AKDM4EALDH1A1TDP1HSP90AA1
SCHEMBL15223797 0.76 GSK3B (0.40) RAB9AKDM4EALDH1A1GAANPC1
SCHEMBL28813920 0.75 FABP6 (0.51) RAB9AKDM4EGAATDP1NPC1

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-112969802-A Multiplex fluorescence detection of analytes 伊鲁米那股份有限公司 2021-06-15 CN disclosed
CN-112654614-A Tertiary amine substituted coumarin compounds and their use as fluorescent markers 伊卢米纳剑桥有限公司 2021-04-13 CN disclosed