SCHEMBL11046091

SCHEMBL11046091

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HTT P42858 3/20 0.48
MAPT P10636 1/20 0.48
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
FDPS P14324 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11054054 0.87 KMT2A (0.57) KMT2AALDH1A1CYP3A4HSP90AA1HDAC1
SCHEMBL11069090 0.85 KMT2A (0.59) KMT2AALDH1A1CYP3A4HSP90AA1HTT
SCHEMBL11044015 0.85 HSP90AA1 (0.64) KMT2AALDH1A1CYP3A4HSP90AA1HDAC1
SCHEMBL11059542 0.84 KMT2A (0.46) KMT2AALDH1A1CYP3A4HSP90AA1HTT
SCHEMBL11046029 0.84 KMT2A (0.52) KMT2AALDH1A1CYP3A4HSP90AA1HTT
SCHEMBL11114298 0.83 KMT2A (0.56) KMT2AALDH1A1CYP3A4HSP90AA1HTT
SCHEMBL11049367 0.82 KMT2A (0.55) KMT2AALDH1A1CYP3A4HSP90AA1HTT
SCHEMBL11405714 0.82 KMT2A (0.51) KMT2AALDH1A1CYP3A4HSP90AA1HTT
SCHEMBL22439708 0.80 KMT2A (0.53) KMT2AALDH1A1CYP3A4HSP90AA1HTT
SCHEMBL10705868 0.80 KMT2A (0.59) 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