SCHEMBL17844209

SCHEMBL17844209

CC(C)(C)n1sc(-c2ccccc2)c(NCCSC2CCNC2)c1=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.32
DNMT1 P26358 1/20 0.30
DNMT3B Q9UBC3 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
SCHEMBL5184355 0.76 BRD4 (0.36)
SCHEMBL17844229 0.74 MEN1 (0.48)
SCHEMBL17844227 0.73 POLB (0.39)
SCHEMBL1999234 0.72 NR1H2 (0.45) PARP14DNMT1DNMT3B
SCHEMBL3551960 0.71 BRD4 (0.39)
SCHEMBL17844110 0.71 MAOA (0.40)
SCHEMBL17844119 0.70 TAAR1 (0.40)
SCHEMBL5184298 0.69 CA12 (0.33)
SCHEMBL17844175 0.68 CA12 (0.38)
SCHEMBL17844244 0.67 MTNR1A (0.40)

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