SCHEMBL11705233

SCHEMBL11705233

CCCCCCCCCCCc1cc(C)c(C#N)c(O)n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
AURKA O14965 1/20 0.37
MAPT P10636 1/20 0.37
PTGS2 P35354 2/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
NOS2 P35228 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR84 Q9NQS5 4/20 0.35
CTSK P43235 1/20 0.35
CYP19A1 P11511 3/20 0.35
BCAT2 O15382 1/20 0.35

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
SCHEMBL4658289 0.81 KCNH2 (0.38) KCNH2AURKAMAPTKDM4EHPGD
SCHEMBL3443689 0.75 GPR84 (0.42) MAPTPTGS2KDM4EGPR84
SCHEMBL27978010 0.73 KCNH2 (0.53) KCNH2MAPTPTGS2KDM4ENOS2
SCHEMBL1685616 0.73 KCNH2 (0.53) KCNH2MAPTPTGS2KDM4ENOS2
SCHEMBL29406972 0.70 KDM4E (0.46) MAPTKDM4EHPGDGAA
SCHEMBL2673578 0.70 KDM4E (0.60) KDM4EHPGD
SCHEMBL1222275 0.70 KDM4E (0.46) MAPTKDM4EHPGDGAA
SCHEMBL31261994 0.70 KDM4E (0.60) KDM4EHPGD
SCHEMBL3654974 0.70 MAPT (0.48) MAPTKDM4EHPGDGAANPSR1
SCHEMBL29137657 0.69 MAPT (0.40) AURKAMAPTPTGS2KDM4EHPGD

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
US-4032349-A STAIN FREE, COLOR SEPARATIONS FUJI PHOTO FILM CO., LTD. (JA) 1977-06-28 US disclosed