SCHEMBL14003136

SCHEMBL14003136

O=C(Nc1nn(C2CCCCC2)c2c1CCCC2)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
CNR2 P34972 1/20 0.44
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4C Q9H3R0 1/20 0.42
KCNJ6 P48051 2/20 0.41
KCNJ5 P48544 2/20 0.41
KCNJ3 P48549 2/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ADCY1 Q08828 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
PKM P14618 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40

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
SCHEMBL2716208 0.87 BTK (0.43) KMT2ACNR2TP53SMN1; SMN2NPC1
SCHEMBL13871464 0.82 CNR1 (0.48) CNR2NPC1ALDH1A1HPGD
SCHEMBL10214778 0.79 TSHR (0.47) KMT2ACNR2SMN1; SMN2KDM4CNPC1
SCHEMBL13871470 0.77 HSD11B1 (0.47) KMT2ACNR2KCNJ6KCNJ5KCNJ3
SCHEMBL13871472 0.77 CNR2 (0.58) KMT2ACNR2SMN1; SMN2KCNJ6KCNJ5
SCHEMBL10214775 0.75 CNR2 (0.58) KMT2ACNR2TP53SMN1; SMN2ALDH1A1
SCHEMBL13871715 0.74 OPRM1 (0.44) KMT2ACNR2KDM4CKCNJ6KCNJ5
SCHEMBL2718387 0.73 CNR2 (0.48) CNR2SMN1; SMN2KCNJ6KCNJ5KCNJ3
SCHEMBL14027869 0.72 TAS1R3 (0.45) CNR2KDM4C
SCHEMBL14003139 0.72 MAPK1 (0.54) CNR2ALDH1A1

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-7452997-B2 Tetrahydro-indazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-18 US disclosed
US-7452997-B2 Tetrahydro-indazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-18 US disclosed