SCHEMBL9564746

SCHEMBL9564746

CC1(C(O)(Cc2ccc(Cl)cc2Cl)c2cccnc2)OCCO1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 11/20 0.42
▸ KCNA5 P22460 1/20 0.39
▸ CYP3A4 P08684 5/20 0.38
▸ CYP3A5 P20815 5/20 0.38

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
SCHEMBL10968109 0.78 CYP19A1 (0.50) CYP19A1KCNA5CYP3A4CYP3A5
SCHEMBL10727531 0.77 CYP19A1 (0.39) CYP19A1KCNA5CYP3A4CYP3A5
SCHEMBL10734500 0.76 CYP19A1 (0.39) CYP19A1KCNA5CYP3A4CYP3A5
SCHEMBL10731747 0.76 CYP19A1 (0.46) CYP19A1KCNA5CYP3A4CYP3A5
Cyclopropane SCHEMBL10727636 0.76 CYP19A1 (0.43) CYP19A1KCNA5CYP3A4CYP3A5
SCHEMBL10472521 0.75 CYP19A1 (0.47) CYP19A1KCNA5CYP3A4CYP3A5
SCHEMBL10726684 0.75 CYP19A1 (0.47) CYP19A1KCNA5CYP3A4CYP3A5
Ethylene SCHEMBL10729027 0.74 CYP19A1 (0.44) CYP19A1KCNA5CYP3A4CYP3A5
SCHEMBL10727673 0.74 CYP19A1 (0.49) CYP19A1KCNA5CYP3A4CYP3A5
SCHEMBL10727392 0.73 CYP19A1 (0.45) CYP19A1KCNA5CYP3A4CYP3A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525346-A1 3-Substituted pyridine methanols and fungicides containing them BASF Aktiengesellschaft (DE) 1993-02-03 — — EP disclosed
Send feedback