SCHEMBL9833601

SCHEMBL9833601

CCC(Cn1cncn1)(OC)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 5/20 0.43
CYP3A4 P08684 2/20 0.43
CYP19A1 P11511 3/20 0.39
POLB P06746 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSP90AA1 P07900 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 1/20 0.34

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
SCHEMBL9836208 0.88 KMT2A (0.39) KMT2AALDH1A1CYP3A4CYP19A1MAPT
SCHEMBL9834872 0.88 KMT2A (0.47) KMT2AALDH1A1CYP3A4CYP19A1MAPT
SCHEMBL9577990 0.85 CYP3A4 (0.39) KMT2AALDH1A1CYP3A4CYP19A1POLB
SCHEMBL15823593 0.85 CYP3A4 (0.39) KMT2AALDH1A1CYP3A4CYP19A1POLB
SCHEMBL17223584 0.85 CYP3A4 (0.39) KMT2AALDH1A1CYP3A4CYP19A1POLB
SCHEMBL9833953 0.85 ALDH1A1 (0.39) KMT2AALDH1A1CYP3A4CYP19A1POLB
SCHEMBL9836080 0.83 KMT2A (0.49) KMT2AALDH1A1CYP3A4CYP19A1POLB
SCHEMBL15824121 0.83 AR (0.39) KMT2AALDH1A1CYP3A4CYP19A1POLB
SCHEMBL15823070 0.83 AR (0.39) KMT2AALDH1A1CYP3A4CYP19A1POLB
SCHEMBL14645476 0.83 AR (0.39) KMT2AALDH1A1CYP3A4CYP19A1POLB

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 6 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
JP-2085265-A None JP disclosed
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
JP-H0285265-A NOVEL TRIAZOLYL DERIVATIVE CONTAINING DIPHENYLETHER GROUP AND MICROBICIDE COMPOSITION CIBA GEIGY AG 1990-03-26 JP 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