SCHEMBL9741065

SCHEMBL9741065

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.38
HSP90AA1 P07900 2/20 0.37
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.34
CYP19A1 P11511 2/20 0.33
LMNA P02545 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP51A1 Q16850 1/20 0.33

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
Hydrochloric Acid SCHEMBL8780720 0.99 FDPS (0.38) FDPSHSP90AA1CYP3A4ALDH1A1KMT2A
Nitric Acid SCHEMBL9741676 0.92 FDPS (0.36) FDPSHSP90AA1CYP3A4ALDH1A1KMT2A
SCHEMBL9661184 0.80 FDPS (0.41) FDPSHSP90AA1CYP3A4ALDH1A1KMT2A
SCHEMBL9741680 0.76 FDPS (0.32) FDPS
SCHEMBL9684233 0.76 FDPS (0.40) FDPSHSP90AA1CYP3A4ALDH1A1KMT2A
SCHEMBL8058679 0.76 FDPS (0.40) FDPSHSP90AA1CYP3A4ALDH1A1KMT2A
SCHEMBL9568076 0.76 FDPS (0.40) FDPSHSP90AA1CYP3A4ALDH1A1KMT2A
SCHEMBL29097310 0.75 CYP3A4 (0.43) FDPSHSP90AA1CYP3A4ALDH1A1KMT2A
SCHEMBL29092408 0.75 CYP3A4 (0.43) FDPSHSP90AA1CYP3A4ALDH1A1KMT2A
SCHEMBL29058624 0.75 CYP3A4 (0.43) FDPSHSP90AA1CYP3A4ALDH1A1KMT2A

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-5162358-A HALOGENOALKYL-AZOLYL DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1992-11-10 US claimed