SCHEMBL19984598

SCHEMBL19984598

CC1=C(C)S(=O)(=O)c2ccc(C(=O)NCc3cnc(N/C=C\C=N)s3)cc2NC1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDR P35968 2/20 0.32
RAB9A P51151 2/20 0.31
METTL3 Q86U44 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30
NPC1 O15118 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
SCHEMBL19984571 0.79 POLB (0.35) POLBKMT2ATDP1KDRRAB9A
SCHEMBL21291437 0.78 MEN1 (0.34) KMT2ARAB9ANPC1
SCHEMBL21291310 0.78 NTRK1 (0.33) POLBKMT2AKDRRAB9ANPC1
SCHEMBL21291439 0.75 RIPK2 (0.38) POLBKMT2ATDP1RAB9A
SCHEMBL21291407 0.74 EGLN1 (0.42)
SCHEMBL17080280 0.73 ALDH1A1 (0.44) POLBKMT2ATDP1
SCHEMBL19984596 0.72 ROCK1 (0.41) POLBKDR
SCHEMBL18667838 0.72 MAPT (0.41) POLBKMT2AKDR
SCHEMBL18667833 0.71 ALDH1A1 (0.49) POLBKMT2AKDR
SCHEMBL17080158 0.70 MAPT (0.42) POLBKMT2A

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-2018053157-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-03-22 WO disclosed