SCHEMBL526281

SCHEMBL526281

O=C(NCc1ccccc1)C(Br)CO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MMP8 P22894 3/20 0.53
MME P08473 1/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.48
CYP2D6 P10635 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CACNA1C Q13936 1/20 0.48
SCN9A Q15858 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48

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
SCHEMBL526555 1.00 KMT2A (0.53) KMT2AMMP8MMEGAAALDH1A1
SCHEMBL8514567 0.86 KMT2A (0.53) KMT2AMMP8MMEGAAALDH1A1
SCHEMBL2936657 0.84 KMT2A (0.55) KMT2AMMP8MMEGAAALDH1A1
SCHEMBL23754579 0.84 KMT2A (0.55) KMT2AMMP8MMEGAAALDH1A1
SCHEMBL15610313 0.83 KMT2A (0.57) KMT2AMMP8MMEGAAALDH1A1
SCHEMBL8568653 0.83 MMP8 (0.51) KMT2AMMP8MMEGAAALDH1A1
SCHEMBL11380823 0.83 GAA (0.54) KMT2AMMP8GAAALDH1A1MEN1
SCHEMBL8568656 0.83 MMP8 (0.51) KMT2AMMP8MMEGAAALDH1A1
SCHEMBL10638067 0.81 KMT2A (0.53) KMT2AMMP8MMEALDH1A1CA12
SCHEMBL9576731 0.81 MCL1 (0.56) KMT2AMMP8MMEGAAALDH1A1

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-2598476-A1 PROCESS FOR PREPARATION OF LACOSAMIDE AND SOME N-BENZYL-PROPANAMIDE INTERMEDIATE DERIVATIVES Indoco Remedies Limited (IN) 2013-06-05 EP disclosed
WO-2012014226-A1 PROCESS FOR PREPARATION OF LACOSAMIDE AND SOME N-BENZYL-PROPANAMIDE INTERMEDIATE DERIVATIVES INDOCO REMEDIES LIMITED (IN) 2012-02-02 WO disclosed