SCHEMBL6468457

SCHEMBL6468457

C=C(COC)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
ALOX12 P18054 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CACNA1C Q13936 1/20 0.45
SCN9A Q15858 1/20 0.45
CA13 Q8N1Q1 1/20 0.45

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
SCHEMBL24242175 0.82 MEN1 (0.50) HPGDALDH1A1KMT2AMAPTMEN1
SCHEMBL24242058 0.80 LMNA (0.48) HPGDKMT2AMAPTMEN1IDO1
SCHEMBL12438732 0.80 TXNRD1 (0.59) HPGDALDH1A1KMT2AMAPTMEN1
SCHEMBL22621290 0.79 ALOX12 (0.52) HPGDALOX12ALDH1A1KMT2AMAPT
SCHEMBL11204749 0.78 ALOX12 (0.57) HPGDALOX12ALDH1A1KMT2AMAPT
SCHEMBL2719871 0.78 KMT2A (0.67) HPGDALDH1A1KMT2AMAPTMEN1
SCHEMBL23019311 0.76 CYP3A4 (0.56) HPGDALOX12ALDH1A1KMT2AMAPT
SCHEMBL17725369 0.75 ALOX12 (0.52) HPGDALOX12ALDH1A1KMT2AMAPT
SCHEMBL14620410 0.75 CYP1A2 (0.53) HPGDALOX12ALDH1A1KMT2AMAPT
SCHEMBL15726449 0.74 ALDH1A1 (0.54) HPGDALOX12ALDH1A1KMT2AMAPT

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
WO-2012052996-A2 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2012-04-26 WO disclosed