SCHEMBL16649554

SCHEMBL16649554

CCn1c(N2CCCCC2)nc2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.68
SORD Q00796 1/20 0.60
NPSR1 Q6W5P4 2/20 0.58
ALDH1A1 P00352 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
PKM P14618 1/20 0.57
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55

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
SCHEMBL5512679 0.85 HTR3A (0.71) KMT2ASORD
SCHEMBL7341277 0.82 HTR3A (0.75) KMT2AALDH1A1
SCHEMBL15963205 0.81 KMT2A (0.64) KMT2ASORDNPSR1ALDH1A1SMN1; SMN2
SCHEMBL5166005 0.81 MAPK1 (0.58) KMT2ANPSR1ALDH1A1LMNAMAPT
SCHEMBL4940460 0.80 HSD11B1 (0.58) KMT2ANPSR1ALDH1A1SMN1; SMN2LMNA
SCHEMBL20715427 0.79 CYP2D6 (0.64) KMT2ANPSR1PKMLMNAMAPT
SCHEMBL14685207 0.78 HSD11B1 (0.60) KMT2AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL20715422 0.77 TNF (0.59) ALDH1A1MAPT
SCHEMBL9844964 0.77 KMT2A (0.59) KMT2A
SCHEMBL20715423 0.77 CYP2D6 (0.66) KMT2ANPSR1PKMLMNAMAPT

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-2688407-B1 USE OF N-(1,2,5-OXADIAZOL-3-YL)BENZAMIDES FOR CONTROLLING UNWANTED PLANTS IN AREAS OF TRANSGENIC CROP PLANTS BEING TOLERANT TO HPPD INHIBITOR HERBICIDES BAYER IP GMBH (DE) 2015-04-22 EP claimed