SCHEMBL11816255

SCHEMBL11816255

COC(=O)CCc1cnc(Oc2ccccc2)cc1C(=O)C=[N+]=[N-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ RPS6KB2 Q9UBS0 1/20 0.35
▸ ACACB O00763 1/20 0.34
▸ MAPK8 P45983 4/20 0.34
▸ MAPK10 P53779 3/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ GRN P28799 2/20 0.33
▸ SORT1 Q99523 2/20 0.33

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
SCHEMBL11817197 0.90 CYP4F2 (0.40) ALDH1A1
SCHEMBL11817553 0.85 CCNC (0.43) CCNCCDK8NPC1ALDH1A1RAB9A
SCHEMBL11834926 0.83 CCNC (0.42) CCNCCDK8NPC1ALDH1A1RAB9A
SCHEMBL11807967 0.79 CCNC (0.44) CCNCCDK8NPC1ALDH1A1RAB9A
SCHEMBL11818838 0.78 CCNC (0.42) CCNCCDK8NPC1ALDH1A1RAB9A
SCHEMBL11816241 0.77 ACACB (0.37) NPC1ALDH1A1RAB9AACACBMAPK8
SCHEMBL11818833 0.76 CCNC (0.42) CCNCCDK8NPC1ALDH1A1RAB9A
SCHEMBL11812777 0.74 CYP4F2 (0.47) ALDH1A1MEN1CASP3KMT2A
SCHEMBL11817181 0.73 MAPT (0.40) NPC1ALDH1A1RAB9AACACBMAPK8
SCHEMBL11810282 0.72 CYP4F2 (0.45) ALDH1A1MEN1KMT2A

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-3994908-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIRHEUMATIC SHIONOGI & CO., LTD. (JA) 1976-11-30 — — US disclosed
US-3940403-A ANTIINFLAMMATORY, ANTIRHEUMATIC, ANALGESIC, ANTIPYRETIC SHIONOGI & CO., LTD. (JA) 1976-02-24 — — US disclosed
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