SCHEMBL13350353

SCHEMBL13350353

CCS(=O)(=O)NC(C(=O)NCCc1ccc(OCCc2ccc(Cl)cc2)c(OC)c1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
GAA P10253 1/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 3/20 0.48
CNR1 P21554 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
CTSD P07339 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 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
SCHEMBL6555032 0.93 KMT2A (0.50) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL6555027 0.93 KMT2A (0.50) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL13350377 0.92 KMT2A (0.52) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL6553296 0.89 KMT2A (0.51) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL6553298 0.89 KMT2A (0.51) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL6553290 0.89 KMT2A (0.51) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL6555530 0.88 SMN1; SMN2 (0.47) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL6556893 0.88 GAA (0.52) KMT2AMEN1GAAALDH1A1LMNA
SCHEMBL6556788 0.88 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL6556793 0.88 ALDH1A1 (0.60) KMT2AMEN1ALDH1A1LMNASMN1; SMN2

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
EP-1567012-B1 FUNGICIDAL COMBINATIONS FOR CROP PROTECTION SYNGENTA PARTICIPATIONS AG (CH) 2010-06-30 EP disclosed