SCHEMBL9846363

SCHEMBL9846363

CCc1cnccc1NCCC(C)CC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.36
KDM6B O15054 3/20 0.36
PTGS1 P23219 5/20 0.35
PTGS2 P35354 3/20 0.33
AOC1 P19801 3/20 0.33
AOC3 Q16853 3/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
CCNC P24863 1/20 0.30
CDK8 P49336 1/20 0.30

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
SCHEMBL9846137 0.77 CYP2E1 (0.34) AOC1AOC3CA12CA1CA2
SCHEMBL9846210 0.76 GALR3 (0.36) KDM4CKDM6BTRPV1
SCHEMBL21782174 0.72 AOC1 (0.56) KDM4CKDM6BPTGS1PTGS2AOC1
SCHEMBL9846115 0.72 KDM4C (0.35) KDM4CKDM6BLMNASMN1; SMN2L3MBTL1
SCHEMBL11478702 0.71 KDM4C (0.52) KDM4CKDM6BPTGS1LMNAL3MBTL1
SCHEMBL23792402 0.70 AOC1 (0.57) KDM4CKDM6BPTGS1PTGS2AOC1
SCHEMBL11628002 0.67 AOC1 (0.53) KDM4CKDM6BPTGS1PTGS2AOC1
SCHEMBL15229807 0.65 MAPT (0.45) LMNASMN1; SMN2L3MBTL1
SCHEMBL9846279 0.65 GPBAR1 (0.36)
SCHEMBL9846099 0.64 KCNH2 (0.38) KDM4CKDM6BLMNA

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
EP-0424538-A1 PYRIDINE DERIVATIVES AND THEIR SALTS, AND INSECTICIDAL/ACARICIDAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-05-02 EP disclosed