SCHEMBL9727950

SCHEMBL9727950

NC([C]=O)Cc1n[nH]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.44
GAA P10253 2/20 0.44
PDPK1 O15530 1/20 0.44
CYP3A4 P08684 1/20 0.44
STAT3 P40763 1/20 0.42
HIF1A Q16665 1/20 0.42
CTNNB1 P35222 3/20 0.39
WNT3A P56704 3/20 0.39
CYP1A2 P05177 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
YTHDC1 Q96MU7 1/20 0.39
ALDH1A1 P00352 4/20 0.39
ALPL P05186 1/20 0.39
IDO1 P14902 1/20 0.39
HPGD P15428 1/20 0.39
TTK P33981 1/20 0.39
MAPK10 P53779 1/20 0.39
PRMT5 O14744 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37

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
SCHEMBL2268137 1.00 KDM4E (0.44) KDM4EGAAPDPK1CYP3A4STAT3
SCHEMBL2268086 1.00 KDM4E (0.44) KDM4EGAAPDPK1CYP3A4STAT3
SCHEMBL30166149 0.79 SLC6A2 (0.50) KDM4EGAAPDPK1CYP3A4STAT3
SCHEMBL5989957 0.79 SLC6A2 (0.50) KDM4EGAAPDPK1CYP3A4STAT3
SCHEMBL2268091 0.78 KDM4E (0.44) KDM4EGAAPDPK1CYP3A4STAT3
SCHEMBL2268143 0.78 KDM4E (0.44) KDM4EGAAPDPK1CYP3A4STAT3
SCHEMBL31642427 0.77 KDM4E (0.55) KDM4EGAAPDPK1CYP3A4STAT3
SCHEMBL7416939 0.77 KDM4E (0.55) KDM4EGAAPDPK1CYP3A4STAT3
SCHEMBL29353985 0.77 KDM4E (0.55) KDM4EGAAPDPK1CYP3A4STAT3
SCHEMBL31646447 0.77 KDM4E (0.55) KDM4EGAAPDPK1CYP3A4STAT3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP claimed
US-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 US disclosed
EP-0417454-A2 Reduced size LHRH analogs ABBOTT LABORATORIES (US) 1991-03-20 EP disclosed