SCHEMBL1735462

SCHEMBL1735462

C=CCON=C1C[C@@H](CC)Nc2ccc(C(F)(F)F)cc21

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.32
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PABPC1 P11940 1/20 0.30
APOBEC3A P31941 1/20 0.30
KMT2A Q03164 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL1735451 0.84 AR (0.35) ARAPOBEC3AKMT2AAPOBEC3G
SCHEMBL1735695 0.84 AR (0.35) ARAPOBEC3AKMT2AAPOBEC3G
SCHEMBL1735448 0.84 AR (0.35) ARAPOBEC3AKMT2AAPOBEC3G
SCHEMBL13478819 0.80 AR (0.37) ARKMT2A
SCHEMBL1735760 0.79 AR (0.36) ARKMT2A
SCHEMBL1735758 0.79 AR (0.36) ARKMT2A
SCHEMBL1735757 0.79 AR (0.36) ARKMT2A
SCHEMBL12066676 0.79 AR (0.36) ARKMT2A
SCHEMBL1735446 0.72 AR (0.43) ARKMT2A
SCHEMBL1735450 0.72 AR (0.43) ARKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007728-B1 A PROCESS FOR PREPARING TETRAHYDROQUINOLINE DERIVATIVES MITSUBISHI TANABE PHARMA CORP (JP) 2011-11-16 EP claimed
WO-2011131370-A1 MELT-GRANULATED FINGOLIMOD RATIOPHARM GMBH (DE) 2011-10-27 WO claimed