SCHEMBL9540683

SCHEMBL9540683

COC(=O)N(C(N)=O)c1cccc2ccccc12.Nc1ncnc(N)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RCE1 Q9Y256 1/20 0.36
DHFR P00374 1/20 0.36
SIGMAR1 Q99720 4/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 2/20 0.35
AURKA O14965 2/20 0.35
RPS6KB1 P23443 2/20 0.35
AURKB Q96GD4 2/20 0.35
TSHR P16473 2/20 0.34
F2 P00734 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL27532540 0.88 GAA (0.44) NCEH1MEN1KMT2ARCE1SIGMAR1
SCHEMBL6685262 0.75 SIGMAR1 (0.48) SIGMAR1GAAKDM4ETSHRALDH1A1
SCHEMBL7065623 0.73 NCEH1 (0.40) NCEH1MEN1KMT2ARCE1SIGMAR1
SCHEMBL6685254 0.71 SIGMAR1 (0.44) SIGMAR1GAAKDM4ETSHRALDH1A1
SCHEMBL3068495 0.71 SIGMAR1 (0.49) SIGMAR1GAAKDM4EALDH1A1
SCHEMBL7065619 0.70 NCEH1 (0.40) NCEH1MEN1KMT2ARCE1SIGMAR1
SCHEMBL7065626 0.70 NCEH1 (0.40) NCEH1MEN1KMT2ARCE1SIGMAR1
SCHEMBL2090835 0.70 SIGMAR1 (0.61) NCEH1SIGMAR1GAATSHRALDH1A1
SCHEMBL7206012 0.68 SIGMAR1 (0.46) NCEH1MEN1KMT2ARCE1SIGMAR1
Hydrochloric Acid SCHEMBL11077306 0.68 SIGMAR1 (0.43) NCEH1MEN1KMT2ARCE1SIGMAR1

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
WO-1993000809-A1 DELIVERY SYSTEM FOR AGRICULTURAL CHEMICALS ISP INVESTMENTS INC. (US) 1993-01-21 WO disclosed