SCHEMBL17844131

SCHEMBL17844131

CC(C)(C)n1sc(-c2ccccc2)c(NC2CCC(Sc3ccc(C(F)(F)F)cc3)CC2)c1=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
CCR6 P51684 2/20 0.32
BACE1 P56817 1/20 0.32
PIM1 P11309 2/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31

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
SCHEMBL17844164 0.76 KAT2B (0.38) PIM1PIM3
SCHEMBL1998190 0.73 NR1H2 (0.43) DDB1CRBNCCR6
SCHEMBL5316660 0.73 METAP1 (0.49)
SCHEMBL17844153 0.73 MAPK8 (0.41)
SCHEMBL17844250 0.70 KAT2B (0.41)
SCHEMBL17844240 0.69 CHRM4 (0.39)
SCHEMBL17844175 0.67 CA12 (0.38)
SCHEMBL3551960 0.66 BRD4 (0.39)
SCHEMBL17844088 0.65 KDM4E (0.40)
SCHEMBL1997801 0.65 TEAD1 (0.42) DDB1CRBN

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
WO-2016100619-A2 TREATMENT AND DIAGNOSIS OF CANCER RGENIX, INC. (US) 2016-06-23 WO disclosed