SCHEMBL28321728

SCHEMBL28321728

FC(F)(F)Oc1cc(OCc2cc(C(F)(F)F)ccc2C(F)(F)F)cc(-c2cnn[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.42
▸ SRD5A1 P18405 2/20 0.35
▸ SLC6A4 P31645 1/20 0.32
▸ F2 P00734 1/20 0.31
▸ NR1H2 P55055 2/20 0.31
▸ QPCT Q16769 1/20 0.31
▸ FOXM1 Q08050 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ PIEZO1 Q92508 1/20 0.30
▸ NR1H3 Q13133 1/20 0.30

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
SCHEMBL28320645 0.85 SRD5A2 (0.43) SRD5A2SRD5A1NR1H2MAOBNR1H3
SCHEMBL28321766 0.80 SRD5A2 (0.43) SRD5A2SRD5A1SLC6A4NR1H2QPCT
SCHEMBL28321816 0.79 NOTUM (0.45) SRD5A2SRD5A1NR1H2QPCT
SCHEMBL16399733 0.78 SRD5A2 (0.39) SRD5A2SRD5A1NR1H2QPCTPIEZO1
SCHEMBL16399554 0.78 SRD5A2 (0.39) SRD5A2SRD5A1NR1H2QPCTPIEZO1
SCHEMBL18002464 0.77 SRD5A2 (0.50) SRD5A2SRD5A1NR1H2MAOBNR1H3
SCHEMBL16398985 0.74 SRD5A2 (0.39) SRD5A2SRD5A1NR1H2QPCT
SCHEMBL18004446 0.73 ESRRA (0.35) SRD5A2SRD5A1SLC6A4
SCHEMBL18003380 0.71 ESRRA (0.41) SRD5A2SRD5A1SLC6A4NR1H2FOXM1
SCHEMBL28321819 0.70 SRD5A2 (0.45) SRD5A2SRD5A1NR1H2QPCTPIEZO1

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
CN-105408325-B cyanotriazole compounds 大塚制药株式会社 2019-10-22 — — CN disclosed
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