SCHEMBL12656301

SCHEMBL12656301

CC(Oc1cccc(Cl)c1Cl)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 1/20 0.46
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTR1D P28221 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
NFKB1 P19838 1/20 0.42
PNMT P11086 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CXCL8 P10145 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL12656438 1.00 KMT2A (0.46) KMT2AHPGDMEN1CARM1PRMT6
SCHEMBL16244235 0.88 KMT2A (0.57) KMT2AHPGDMEN1ALDH1A1SMN1; SMN2
SCHEMBL27560928 0.84 HPGD (0.47) KMT2AHPGDMEN1CARM1PRMT6
SCHEMBL1019372 0.84 KMT2A (0.59) KMT2AHPGDMEN1CARM1PRMT6
SCHEMBL1576594 0.84 KMT2A (0.59) KMT2AHPGDMEN1CARM1PRMT6
SCHEMBL15331025 0.83 ALDH1A1 (0.46) KMT2AHPGDMEN1CARM1PRMT6
SCHEMBL400373 0.82 CXCL8 (0.42) KMT2AHPGDMEN1ALDH1A1SMN1; SMN2
SCHEMBL10013408 0.82 CXCL8 (0.42) KMT2AHPGDMEN1ALDH1A1SMN1; SMN2
SCHEMBL10013407 0.82 CXCL8 (0.42) KMT2AHPGDMEN1ALDH1A1SMN1; SMN2
SCHEMBL28822687 0.81 F9 (0.47) KMT2AHPGDMEN1CARM1PRMT6

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-2316829-A1 Heterocyclic derivatives as modulators of ion channels Vertex Pharmaceuticals Incorporated (US) 2011-05-04 EP disclosed
EP-2308872-A1 Heterocyclic derivatives as modulators of ion channels Vertex Pharmaceuticals Incorporated (US) 2011-04-13 EP disclosed