SCHEMBL9836208

SCHEMBL9836208

CCC(Cn1cncn1)(OC)c1ccc(Oc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
CYP19A1 P11511 2/20 0.39
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 3/20 0.36
FFAR1 O14842 2/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9833601 0.88 KMT2A (0.47) KMT2ACYP19A1ALDH1A1CYP3A4MEN1
SCHEMBL15732416 0.81 KMT2A (0.43) KMT2ACYP19A1ALDH1A1CYP3A4FFAR1
SCHEMBL9835425 0.80 CYP3A4 (0.41) KMT2ACYP19A1ALDH1A1CYP3A4MEN1
SCHEMBL9834872 0.79 KMT2A (0.47) KMT2ACYP19A1ALDH1A1CYP3A4LMNA
SCHEMBL9577990 0.79 CYP3A4 (0.39) KMT2ACYP19A1ALDH1A1CYP3A4MEN1
SCHEMBL17223584 0.79 CYP3A4 (0.39) KMT2ACYP19A1ALDH1A1CYP3A4MEN1
SCHEMBL15823593 0.79 CYP3A4 (0.39) KMT2ACYP19A1ALDH1A1CYP3A4MEN1
SCHEMBL15732380 0.78 KMT2A (0.49) KMT2ACYP19A1ALDH1A1CYP3A4FFAR1
SCHEMBL10453226 0.78 FFAR1 (0.45) FFAR1LMNAMAPT
SCHEMBL15707752 0.78 CYP19A1 (0.39) KMT2ACYP19A1ALDH1A1CYP3A4FFAR1

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
EP-0126430-B1 PROCESS FOR THE PREPARATION OF 1-TRIAZOLYLETHYLETHER-DERIVATIVES, AND MICROBICIDAL COMPOSITIONS CONTAINING NOVEL 1-TRIAZOLYL-PHENOXYPHENYLETHYLETHER-DERIVATIVES AS ACTIVE INGREDIENTS AND THEIR USE CIBA-GEIGY AG (CH) 1991-08-28 EP claimed
EP-0126430-A2 Process for the preparation of 1-triazolylethylether-derivatives, and microbicidal compositions containing novel 1-triazolyl-phenoxyphenylethylether-derivatives as active ingredients and their use CIBA-GEIGY AG (CH) 1984-11-28 EP claimed
EP-0126430-B1 PROCESS FOR THE PREPARATION OF 1-TRIAZOLYLETHYLETHER-DERIVATIVES, AND MICROBICIDAL COMPOSITIONS CONTAINING NOVEL 1-TRIAZOLYL-PHENOXYPHENYLETHYLETHER-DERIVATIVES AS ACTIVE INGREDIENTS AND THEIR USE CIBA-GEIGY AG (CH) 1991-08-28 EP disclosed
US-4945100-A Process for the preparation of 1-triazolylethyl ether derivatives CIBA-GEIGY CORPORATION (US) 1990-07-31 US disclosed
EP-0126430-A2 Process for the preparation of 1-triazolylethylether-derivatives, and microbicidal compositions containing novel 1-triazolyl-phenoxyphenylethylether-derivatives as active ingredients and their use CIBA-GEIGY AG (CH) 1984-11-28 EP disclosed