SCHEMBL9836080

SCHEMBL9836080

COC(C)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 5/20 0.47
CYP3A4 P08684 2/20 0.47
CYP19A1 P11511 3/20 0.42
TSHR P16473 1/20 0.40
POLB P06746 2/20 0.39
HSP90AA1 P07900 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.37
HPGD P15428 1/20 0.35

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
SCHEMBL15732416 0.88 KMT2A (0.43) KMT2AALDH1A1CYP3A4CYP19A1TSHR
SCHEMBL15823160 0.85 ALDH1A1 (0.43) KMT2AALDH1A1CYP3A4CYP19A1TSHR
SCHEMBL9835349 0.85 ALDH1A1 (0.43) KMT2AALDH1A1CYP3A4CYP19A1TSHR
SCHEMBL17223583 0.85 ALDH1A1 (0.43) KMT2AALDH1A1CYP3A4CYP19A1TSHR
SCHEMBL9834796 0.84 ALDH1A1 (0.42) KMT2AALDH1A1CYP3A4CYP19A1TSHR
SCHEMBL15757192 0.83 ALDH1A1 (0.42) KMT2AALDH1A1CYP3A4CYP19A1TSHR
SCHEMBL9833601 0.83 KMT2A (0.47) KMT2AALDH1A1CYP3A4CYP19A1TSHR
SCHEMBL15821872 0.82 CYP3A4 (0.41) KMT2AALDH1A1CYP3A4CYP19A1TSHR
SCHEMBL15823628 0.82 CYP3A4 (0.41) KMT2AALDH1A1CYP3A4CYP19A1TSHR
SCHEMBL14645811 0.82 CYP3A4 (0.41) KMT2AALDH1A1CYP3A4CYP19A1TSHR

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