SCHEMBL7628369

SCHEMBL7628369

CN(CCOc1ccc(SCC(=O)C(F)(F)F)cc1)CC(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ FDPS P14324 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SLC6A9 P48067 3/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HTT P42858 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36

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
SCHEMBL7634935 0.89 MEN1 (0.56) MEN1KMT2AKDM4ELMNAMAPK1
SCHEMBL7537849 0.80 MEN1 (0.48) MEN1KMT2AKDM4ELMNAMAPK1
SCHEMBL7628375 0.80 ATM (0.41) MEN1KMT2AKDM4ELMNAATM
SCHEMBL6499763 0.78 MEN1 (0.54) MEN1KMT2AKDM4ELMNAMAPK1
SCHEMBL7544403 0.78 MEN1 (0.48) MEN1KMT2AKDM4ELMNAMAPK1
SCHEMBL7539455 0.78 MEN1 (0.52) MEN1KMT2AKDM4ELMNAMAPK1
SCHEMBL7542599 0.78 MEN1 (0.54) MEN1KMT2AKDM4ELMNAMAPK1
SCHEMBL7536518 0.77 MEN1 (0.51) MEN1KMT2AKDM4ELMNAMAPK1
SCHEMBL7535738 0.77 MEN1 (0.50) MEN1KMT2AKDM4ELMNAMAPK1
SCHEMBL6487577 0.76 MEN1 (0.52) MEN1KMT2AKDM4ELMNAMAPK1

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-6350892-B1 ENZYME INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2002-02-26 — — US disclosed
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