SCHEMBL28304567

SCHEMBL28304567

O=C(Oc1ccccc1)c1cc2ccccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
MAPT P10636 1/20 0.64
DAO P14920 1/20 0.64
HPGD P15428 1/20 0.64
SRD5A2 P31213 1/20 0.64
HSD17B10 Q99714 1/20 0.64
PDGFRB P09619 8/20 0.62
PDGFRA P16234 8/20 0.62
FLT3 P36888 4/20 0.61
LMNA P02545 2/20 0.60
TP53 P04637 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
IDO1 P14902 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
FGFR1 P11362 1/20 0.54
XDH P47989 1/20 0.54

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
SCHEMBL28411822 0.88 FLT3 (0.58) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL28414220 0.84 KDM4E (0.58) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL31561461 0.83 FLT3 (0.61) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL13814384 0.83 PDGFRB (0.54) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL9525590 0.83 PDGFRB (0.71) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL21770540 0.81 KDM4E (0.67) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL29621806 0.81 KDM4E (0.55) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL30509203 0.80 KDM4E (0.60) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL5323920 0.80 KDM4E (0.60) KDM4EMAPTDAOHPGDSRD5A2
SCHEMBL3851187 0.79 FLT3 (0.65) KDM4EMAPTDAOHPGDSRD5A2

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-109897054-A The preparation method and its usage of triazolothiadiazole c-Met kinase inhibitor 中国药科大学 2019-06-18 CN claimed