SCHEMBL9364013

SCHEMBL9364013

CC(C)(C)C(=O)C(C(O)c1ccc(Cl)cc1Cl)n1cncn1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.52
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP19A1 P11511 3/20 0.43
MAPT P10636 2/20 0.43
HSP90AA1 P07900 3/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
ADRA2C P18825 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
SCHEMBL11092759 0.88 CYP3A4 (0.52) CYP3A4KMT2AMEN1TDP1CYP19A1
SCHEMBL10815582 0.86 MEN1 (0.47) CYP3A4KMT2AMEN1TDP1CYP19A1
SCHEMBL10819136 0.85 CYP19A1 (0.46) CYP3A4KMT2AMEN1TDP1CYP19A1
SCHEMBL11223453 0.85 CYP3A4 (0.52) CYP3A4KMT2AMEN1TDP1CYP19A1
SCHEMBL10550562 0.84 CYP3A4 (0.55) CYP3A4KMT2AMEN1TDP1CYP19A1
SCHEMBL9364205 0.83 CYP3A4 (0.59) CYP3A4KMT2AMEN1TDP1CYP19A1
SCHEMBL11199447 0.82 MEN1 (0.45) CYP3A4KMT2AMEN1TDP1CYP19A1
SCHEMBL11104462 0.80 CYP3A4 (0.46) CYP3A4KMT2AMEN1TDP1CYP19A1
SCHEMBL10911920 0.79 MEN1 (0.50) CYP3A4KMT2AMEN1TDP1CYP19A1
SCHEMBL10860659 0.78 CYP19A1 (0.45) CYP3A4KMT2AMEN1TDP1CYP19A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63083076-A None JP disclosed
EP-0262589-B1 Triazole compounds, and their production SUMITOMO CHEMICAL CO (JP) 1994-05-04 EP disclosed
US-4904793-A Triazole compounds, and their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-02-27 US disclosed
JP-S6383076-A TRIAZOLE DERIVATIVE AND PRODUCTION THEREOF SUMITOMO CHEM CO LTD 1988-04-13 JP disclosed
EP-0262589-A2 Triazole compounds, and their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-04-06 EP disclosed