SCHEMBL11046029

SCHEMBL11046029

O=C(c1ccc(Cl)cc1Cl)C(O)(Cn1cncn1)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.51
PKM P14618 1/20 0.51
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 2/20 0.45
HSP90AA1 P07900 1/20 0.44
CYP19A1 P11511 2/20 0.43
MAPT P10636 3/20 0.43
TSHR P16473 2/20 0.43
CYP1A2 P05177 1/20 0.43
GABRA1 P14867 1/20 0.43
HPGD P15428 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.40
HTT P42858 1/20 0.40
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL11046764 0.88 LMNA (0.51) KMT2ALMNAPKMALDH1A1CYP3A4
SCHEMBL11046091 0.84 KMT2A (0.57) KMT2ALMNAPKMALDH1A1CYP3A4
SCHEMBL11054193 0.82 KMT2A (0.41) KMT2AALDH1A1CYP3A4MAPTTSHR
SCHEMBL11115482 0.81 LMNA (0.53) KMT2ALMNAPKMALDH1A1CYP3A4
SCHEMBL11069090 0.80 KMT2A (0.59) KMT2ALMNAPKMALDH1A1CYP3A4
SCHEMBL11114298 0.78 KMT2A (0.56) KMT2APKMALDH1A1CYP3A4HSP90AA1
SCHEMBL11049367 0.77 KMT2A (0.55) KMT2AALDH1A1CYP3A4HSP90AA1MAPT
SCHEMBL11071704 0.76 LMNA (0.50) KMT2ALMNAPKMALDH1A1CYP3A4
SCHEMBL2550587 0.76 LMNA (0.67) LMNAPKMALDH1A1CYP3A4CYP19A1
SCHEMBL10617937 0.76 KMT2A (0.67) KMT2ALMNAPKMALDH1A1CYP3A4

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