SCHEMBL9834872

SCHEMBL9834872

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
CYP2C9 P11712 7/20 0.40
CYP19A1 P11511 6/20 0.40
CYP3A4 P08684 6/20 0.40
CYP2C19 P33261 5/20 0.40
HSP90AA1 P07900 2/20 0.40
LMNA P02545 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ADRA1A P35348 1/20 0.40
CYP51A1 Q16850 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
S1PR1 P21453 3/20 0.36
CYP2D6 P10635 2/20 0.35
KDM4E B2RXH2 1/20 0.34
TSHR P16473 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP3A5 P20815 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
SCHEMBL9833601 0.88 KMT2A (0.47) KMT2ACYP19A1CYP3A4HSP90AA1ALDH1A1
SCHEMBL10882986 0.80 KMT2A (0.58) KMT2ACYP2C9CYP19A1CYP3A4CYP2C19
SCHEMBL9836208 0.79 KMT2A (0.39) KMT2ACYP19A1CYP3A4LMNAALDH1A1
SCHEMBL11005229 0.77 KMT2A (0.55) KMT2ACYP2C9CYP3A4CYP2C19LMNA
SCHEMBL10362392 0.75 KMT2A (0.54) KMT2ACYP2C9CYP19A1CYP3A4CYP2C19
SCHEMBL9577990 0.74 CYP3A4 (0.39) KMT2ACYP2C9CYP19A1CYP3A4CYP2C19
SCHEMBL15823593 0.74 CYP3A4 (0.39) KMT2ACYP2C9CYP19A1CYP3A4CYP2C19
SCHEMBL17223584 0.74 CYP3A4 (0.39) KMT2ACYP2C9CYP19A1CYP3A4CYP2C19
SCHEMBL15824121 0.74 AR (0.39) KMT2ACYP2C9CYP19A1CYP3A4CYP2C19
SCHEMBL15823070 0.74 AR (0.39) KMT2ACYP2C9CYP19A1CYP3A4CYP2C19

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