SCHEMBL19984755

SCHEMBL19984755

O=C(NCc1cnc(C(F)(F)F)s1)c1ccc2c(c1)NC(=O)c1ccncc1S2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
RXFP1 Q9HBX9 2/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 1/20 0.40
MEN1 O00255 2/20 0.39
ROCK2 O75116 5/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 1/20 0.38
JUN P05412 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 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
SCHEMBL18667473 0.90 TP53 (0.53) TP53MAPTSMN1; SMN2RXFP1KMT2A
SCHEMBL19984599 0.87 POLB (0.46) TP53MAPTSMN1; SMN2RXFP1KMT2A
SCHEMBL21291402 0.85 ROCK2 (0.38) KMT2APOLBTDP1ROCK2RAB9A
SCHEMBL19984643 0.85 POLB (0.45) TP53MAPTSMN1; SMN2RXFP1KMT2A
SCHEMBL19984597 0.84 POLB (0.44) TP53MAPTSMN1; SMN2RXFP1KMT2A
SCHEMBL19984756 0.83 ROCK2 (0.40) TP53MAPTSMN1; SMN2RXFP1KMT2A
SCHEMBL18667151 0.81 TP53 (0.53) TP53MAPTSMN1; SMN2RXFP1KMT2A
SCHEMBL19984758 0.80 EGLN1 (0.41) TP53MAPTSMN1; SMN2RXFP1KMT2A
SCHEMBL23018421 0.78 HPGD (0.51) TP53MAPTSMN1; SMN2RXFP1KMT2A
SCHEMBL18667786 0.77 ABL1 (0.42) TP53MAPTSMN1; SMN2RXFP1KMT2A

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