SCHEMBL12461591

SCHEMBL12461591

C=C(NOCC1CCCCO1)c1ccccc1NCc1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ADRA2C P18825 2/20 0.39
KDR P35968 2/20 0.39
FLT1 P17948 1/20 0.39
GRM4 Q14833 2/20 0.38
CTSL P07711 1/20 0.38
LMNA P02545 1/20 0.37
PDE8B O95263 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL1714925 0.88 KDR (0.45) HTTSMN1; SMN2NPSR1KDRFLT1
SCHEMBL5718691 0.85 KDR (0.46) HTTSMN1; SMN2NPSR1KDRFLT1
SCHEMBL1715868 0.85 KDR (0.46) HTTSMN1; SMN2NPSR1KDRFLT1
SCHEMBL12461795 0.76 ADRA2C (0.37) HTTSMN1; SMN2NPSR1ADRA2CKDR
SCHEMBL5718588 0.74 KDR (0.46) HTTSMN1; SMN2NPSR1ADRA2CKDR
SCHEMBL1715032 0.74 KDR (0.46) HTTSMN1; SMN2NPSR1ADRA2CKDR
SCHEMBL12461049 0.73 KDM4E (0.43) HTTSMN1; SMN2NPSR1ADRA2CKDR
SCHEMBL1715244 0.73 KDR (0.47) ADRA2CKDRFLT1ALDH1A1
SCHEMBL1715288 0.72 KIT (0.53) GRM4KDM4EALDH1A1
SCHEMBL1715524 0.72 KDR (0.47) ADRA2CKDRFLT1ALDH1A1

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-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed