SCHEMBL8924848

SCHEMBL8924848

COC(=O)c1cccc([C]=O)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
CYP1A2 P05177 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GAA P10253 1/20 0.49
RECQL P46063 1/20 0.49
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GRM5 P41594 1/20 0.41

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
SCHEMBL2767807 0.84 MAPT (0.48) MAPTCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL18254547 0.84 MAPT (0.48) MAPTCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL30400958 0.83 MAPT (0.47) MAPTCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL25515728 0.83 MAPT (0.47) MAPTCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL69653 0.82 MAPT (0.64) MAPTCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL8175471 0.81 MAPT (0.46) MAPTCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL3716091 0.79 GRM5 (0.53) MAPTCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL23037197 0.77 MAPT (0.54) MAPTCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL29595815 0.77 MAPT (0.54) MAPTCYP1A2SMN1; SMN2NPC1RAB9A
SCHEMBL5160219 0.77 KDM4E (0.64) CA1CA2KDM4ETSHRL3MBTL1

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
US-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed