SCHEMBL10180448

SCHEMBL10180448

C#CCOC(=O)CC(c1cc(Cl)cc(Cl)c1)C(C#N)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
LMNA P02545 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 4/20 0.33
ALPG P10696 2/20 0.33
MEN1 O00255 2/20 0.32
HPGD P15428 2/20 0.31
USP2 O75604 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GSTP1 P09211 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
NPC1 O15118 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
SCHEMBL10179849 0.90 NPC1 (0.36) KMT2ALMNAALDH1A1MEN1NPSR1
SCHEMBL2041881 0.89 KMT2A (0.34) KMT2ALMNASMN1; SMN2ALDH1A1ALPG
SCHEMBL10179678 0.81 ALDH1A1 (0.42) KMT2ALMNASMN1; SMN2ALDH1A1ALPG
SCHEMBL11439369 0.76 TACR1 (0.40) KMT2ASMN1; SMN2ALDH1A1MEN1NPSR1
SCHEMBL10452409 0.76 KMT2A (0.44) KMT2ALMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL2330078 0.74 POLB (0.35) KMT2ANPC1
SCHEMBL2042006 0.74 ALDH1A1 (0.42) KMT2ALMNASMN1; SMN2ALDH1A1ALPG
SCHEMBL10179847 0.73 KCNA5 (0.40) KMT2AALDH1A1MEN1HPGDNPSR1
SCHEMBL10180840 0.73 KCNA5 (0.43) KMT2AALDH1A1MEN1HPGDNPSR1
SCHEMBL10452076 0.72 KMT2A (0.42) KMT2ALMNASMN1; SMN2ALDH1A1ALPG

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-2474226-A1 Herbicidally active composition comprising cyanobutyrates BASF SE (DE) 2012-07-11 EP disclosed
EP-2474226-A1 Herbicidally active composition comprising cyanobutyrates BASF SE (DE) 2012-07-11 EP disclosed