SCHEMBL7942524

SCHEMBL7942524

CC(C)(C)C(O)C(c1ccc(Cl)cc1)n1cncn1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
POLB P06746 1/20 0.62
HSP90AA1 P07900 1/20 0.62
CYP19A1 P11511 14/20 0.56
TDP1 Q9NUW8 2/20 0.54
CYP3A4 P08684 1/20 0.48
CYP11B1 P15538 1/20 0.43

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
SCHEMBL10489244 0.83 MEN1 (0.60) MEN1KMT2APOLBHSP90AA1CYP19A1
SCHEMBL11002874 0.79 MEN1 (0.55) MEN1KMT2APOLBHSP90AA1CYP19A1
SCHEMBL11085662 0.79 CYP3A4 (0.59) MEN1KMT2APOLBHSP90AA1CYP19A1
SCHEMBL17289538 0.77 POLB (0.58) MEN1KMT2APOLBHSP90AA1CYP19A1
SCHEMBL9364739 0.77 CYP19A1 (0.56) MEN1KMT2APOLBHSP90AA1CYP19A1
SCHEMBL11149908 0.77 MEN1 (0.55) MEN1KMT2APOLBHSP90AA1CYP19A1
Triadimenol SCHEMBL3101894 0.77 POLB (1.00) MEN1KMT2APOLBHSP90AA1CYP19A1
SCHEMBL22609989 0.77 MEN1 (1.00) MEN1KMT2APOLBHSP90AA1CYP19A1
SCHEMBL68549 0.77 MEN1 (1.00) MEN1KMT2APOLBHSP90AA1CYP19A1
SCHEMBL36911 0.77 MEN1 (1.00) MEN1KMT2APOLBHSP90AA1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1230080-C Harmful fungi control with composition containing active substance respiration by inhibiting cytochrome complex III and amide BASF AG (DE) 2005-12-07 CN disclosed
US-6274586-B1 SYNERGISTIC MIXTURE WITH METHYL (N-METHOXY)-PHENYLCARBAMATE DERIVATIVE BASF AKTIENGESELLSCHAFT (DE) 2001-08-14 US disclosed
US-6245771-B1 SYNERGISTIC MIXTURE BASF AKTIENGESELLSCHAFT (DE) 2001-06-12 US disclosed
US-6143745-A FUNGICIDES WITH MITICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-11-07 US disclosed
US-6130224-A Fungicidal agents and method BASF AKTIENGESELLSCHAFT (DE) 2000-10-10 US disclosed
EP-0545099-B1 Anilide derivatives and their use to combat Botrytis BASF AG (DE) 1997-03-05 EP disclosed
EP-0545099-A2 Anilide derivatives and their use to combat Botrytis BASF Aktiengesellschaft (DE) 1993-06-09 EP disclosed
EP-0434613-A2 Synergistic agent and method of regulating plant growth CIBA-GEIGY AG (CH) 1991-06-26 EP disclosed
EP-0327899-A2 Substituted vinyl azoles BAYER AG (DE) 1989-08-16 EP disclosed