SCHEMBL6983787

SCHEMBL6983787

C=Cc1cccnc1C1OCCO1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.34
CASP6 P55212 1/20 0.34
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
P2RX7 Q99572 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
SCHEMBL21505363 0.83 TRIM24 (0.46) NSD2CASP6TRIM24TRIM33ALDH1A1
SCHEMBL30503296 0.73 ALDH1A1 (0.38) NSD2CASP6ALDH1A1
SCHEMBL1991557 0.73 CASP6 (0.50) NSD2CASP6ALDH1A1
SCHEMBL17796068 0.73 NSD2 (0.36) NSD2CASP6ALDH1A1
SCHEMBL23628714 0.72 CYP11B2 (0.40) ALDH1A1
SCHEMBL21505366 0.72 LMNA (0.34) ALDH1A1
SCHEMBL4575968 0.71 ALDH1A1 (0.39) ALDH1A1
SCHEMBL1990688 0.67 CYP1A2 (0.49) ALDH1A1
SCHEMBL24179779 0.66 ALDH1A1 (0.41) NSD2TRIM24TRIM33ALDH1A1
SCHEMBL12087690 0.65

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
EP-0946546-B1 PYRIDIN-2-YL-METHYLAMINE DERIVATIVES, METHOD OF PREPARING AND APPLICATION AS MEDICINE PF MEDICAMENT (FR) 2003-06-25 EP disclosed
US-6020345-A Pyridin-2-yl-methylamine derivatives, method of preparing and application as medicine PIERRE FABRE MEDICAMENT (FR) 2000-02-01 US disclosed