SCHEMBL11059542

SCHEMBL11059542

O=C(c1ccc(Cl)cc1)C(O)(Cn1cncn1)c1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
HSP90AA1 P07900 1/20 0.44
HTT P42858 3/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP19A1 P11511 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MEN1 O00255 1/20 0.38
FDPS P14324 1/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL10505552 0.86 HSP90AA1 (0.45) KMT2AALDH1A1CYP3A4HSP90AA1HTT
SCHEMBL11046091 0.84 KMT2A (0.57) KMT2AALDH1A1CYP3A4HSP90AA1HTT
SCHEMBL9661070 0.78 KMT2A (0.67) KMT2AALDH1A1CYP3A4HSP90AA1HTT
SCHEMBL11044015 0.77 HSP90AA1 (0.64) KMT2AALDH1A1CYP3A4HSP90AA1LMNA
SCHEMBL7260497 0.77 HSP90AA1 (0.42) KMT2AALDH1A1CYP3A4HSP90AA1HTT
SCHEMBL9530225 0.77 KMT2A (0.50) KMT2AALDH1A1CYP3A4HSP90AA1LMNA
Hydrochloric Acid SCHEMBL11143763 0.77 KMT2A (0.65) KMT2AALDH1A1CYP3A4HSP90AA1HTT
SCHEMBL9719625 0.77 HSP90AA1 (0.55) KMT2AALDH1A1CYP3A4HSP90AA1MAPT
SCHEMBL11046764 0.77 LMNA (0.51) KMT2AALDH1A1CYP3A4HSP90AA1HTT
SCHEMBL11187267 0.77 KMT2A (0.49) KMT2AALDH1A1CYP3A4HSP90AA1HTT

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-0117578-A2 Azole-substituted alcohol derivatives SHIONOGI & CO., LTD. (JP) 1984-09-05 EP disclosed