SCHEMBL8058679

SCHEMBL8058679

OC(CC(Cl)=C(Cl)Cl)(Cn1cncn1)C1(Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.40
KMT2A Q03164 2/20 0.39
HSP90AA1 P07900 2/20 0.38
CYP3A4 P08684 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP19A1 P11511 2/20 0.34
LMNA P02545 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CYP2C19 P33261 1/20 0.34
ADRA1A P35348 1/20 0.34
CYP51A1 Q16850 1/20 0.34
EGLN3 Q9H6Z9 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8682093 0.90 FDPS (0.39) FDPSKMT2AHSP90AA1CYP3A4ALDH1A1
SCHEMBL8682090 0.90 FDPS (0.39) FDPSKMT2AHSP90AA1CYP3A4ALDH1A1
SCHEMBL8682085 0.88 FDPS (0.38) FDPSKMT2AHSP90AA1CYP3A4ALDH1A1
SCHEMBL8682089 0.88 FDPS (0.38) FDPSKMT2AHSP90AA1CYP3A4ALDH1A1
SCHEMBL8683128 0.87 FDPS (0.37) FDPSKMT2AHSP90AA1CYP3A4ALDH1A1
SCHEMBL8681195 0.87 CYP3A4 (0.37) FDPSKMT2AHSP90AA1CYP3A4ALDH1A1
SCHEMBL8681199 0.87 CYP3A4 (0.37) FDPSKMT2AHSP90AA1CYP3A4ALDH1A1
SCHEMBL8683126 0.87 FDPS (0.37) FDPSKMT2AHSP90AA1CYP3A4ALDH1A1
SCHEMBL9019711 0.85 FDPS (0.35) FDPSKMT2AHSP90AA1CYP3A4ALDH1A1
SCHEMBL8680883 0.85 FDPS (0.35) FDPSKMT2AHSP90AA1CYP3A4ALDH1A1

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-1001949-A1 TRIAZOLINE-THIONE DERIVATIVE AND ITS USE AS A MICROBICIDE Bayer Aktiengesellschaft (DE) 2000-05-24 EP claimed
WO-1999007686-A1 TRIAZOLINE-THIONE DERIVATIVE AND ITS USE AS A MICROBICIDE BAYER AKTIENGESELLSCHAFT (DE) 1999-02-18 WO claimed
EP-1001949-A1 TRIAZOLINE-THIONE DERIVATIVE AND ITS USE AS A MICROBICIDE Bayer Aktiengesellschaft (DE) 2000-05-24 EP disclosed
WO-1999007686-A1 TRIAZOLINE-THIONE DERIVATIVE AND ITS USE AS A MICROBICIDE BAYER AKTIENGESELLSCHAFT (DE) 1999-02-18 WO disclosed
US-5760067-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-06-02 US disclosed
WO-1995019971-A1 HALOGEN ALKENYL AZOLYL MICROBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1995-07-27 WO disclosed