SCHEMBL28321819

SCHEMBL28321819

FC(F)(F)c1cc(OCc2cc(C(F)(F)F)ccc2C(F)(F)F)cc(-c2c[nH]nn2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 1/20 0.45
▸ SRD5A1 P18405 1/20 0.37
▸ NR1H2 P55055 6/20 0.36
▸ QPCT Q16769 1/20 0.34
▸ SOD1 P00441 1/20 0.34
▸ PIEZO1 Q92508 1/20 0.34
▸ NR1H3 Q13133 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ KDM1A O60341 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ MPO P05164 1/20 0.31

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
SCHEMBL28321766 0.90 SRD5A2 (0.43) SRD5A2SRD5A1NR1H2QPCTPIEZO1
SCHEMBL28876730 0.88 SRD5A2 (0.44) SRD5A2SRD5A1NR1H2QPCTNR1H3
SCHEMBL16399270 0.80 SRD5A2 (0.41) SRD5A2SRD5A1NR1H2QPCTSOD1
SCHEMBL28320549 0.79 PARP14 (0.38) LMNAKDM1AIDO1
SCHEMBL28320562 0.75 MAOB (0.35) SOD1KDM1ARXRARXRBRXRG
SCHEMBL31144931 0.74 IKBKB (0.37) KDM1ARXRARXRBRXRGIDO1
SCHEMBL28876729 0.73 MRGPRX4 (0.44) SRCMRGPRX4
SCHEMBL28321816 0.72 NOTUM (0.45) SRD5A2SRD5A1NR1H2QPCTMRGPRX4
SCHEMBL18004471 0.72 SRD5A2 (0.40) SRD5A2SRD5A1NR1H2QPCTPIEZO1
SCHEMBL18004321 0.72 NR1H2 (0.39) SRD5A2SRD5A1NR1H2SOD1NR1H3

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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