SCHEMBL9683523

SCHEMBL9683523

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.39
HSP90AA1 P07900 2/20 0.38
CYP3A4 P08684 2/20 0.36
LMNA P02545 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP51A1 Q16850 1/20 0.36
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL8681162 0.90 FDPS (0.38) FDPSHSP90AA1CYP3A4LMNACYP19A1
SCHEMBL8681158 0.90 FDPS (0.38) FDPSHSP90AA1CYP3A4LMNACYP19A1
SCHEMBL8058679 0.82 FDPS (0.40) FDPSHSP90AA1CYP3A4LMNACYP19A1
SCHEMBL8682090 0.81 FDPS (0.39) FDPSHSP90AA1CYP3A4LMNACYP19A1
SCHEMBL8682093 0.81 FDPS (0.39) FDPSHSP90AA1CYP3A4LMNACYP19A1
SCHEMBL9682625 0.80 HSP90AA1 (0.40) FDPSHSP90AA1CYP3A4LMNACYP19A1
SCHEMBL9682620 0.80 HSP90AA1 (0.40) FDPSHSP90AA1CYP3A4LMNACYP19A1
SCHEMBL8682089 0.79 FDPS (0.38) FDPSHSP90AA1CYP3A4LMNACYP19A1
Hydrochloric Acid SCHEMBL9684744 0.79 HSP90AA1 (0.39) FDPSHSP90AA1CYP3A4LMNACYP19A1
Hydrochloric Acid SCHEMBL9516937 0.79 HSP90AA1 (0.39) FDPSHSP90AA1CYP3A4LMNACYP19A1

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
US-5122532-A Bactericides, fungicides, algacides, slimicides; yeasts; protection for plants, cooling systems, textiles, paints and plastics BAYER AKTIENGESELLSCHAFT (DE) 1992-06-16 US claimed