SCHEMBL19984758

SCHEMBL19984758

N#Cc1ccc(-c2ncc(CNC(=O)c3ccc4c(c3)NC(=O)c3ccncc3S4)s2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.41
ROCK2 O75116 6/20 0.40
TP53 P04637 3/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL18667774 0.91 TP53 (0.48) EGLN1TP53MAPTSMN1; SMN2RXFP1
SCHEMBL21291409 0.88 EGLN1 (0.42) EGLN1ROCK2KMT2APOLBTDP1
SCHEMBL21291308 0.88 EGLN1 (0.40) EGLN1ROCK2
SCHEMBL19984640 0.85 SLC22A12 (0.35) EGLN1ROCK2
SCHEMBL18667797 0.82 TP53 (0.47) EGLN1TP53MAPTSMN1; SMN2RXFP1
SCHEMBL19984597 0.82 POLB (0.44) ROCK2TP53MAPTSMN1; SMN2RXFP1
SCHEMBL19984756 0.81 ROCK2 (0.40) ROCK2TP53MAPTSMN1; SMN2RXFP1
SCHEMBL18667815 0.81 EGLN1 (0.45) EGLN1ROCK2
SCHEMBL19984599 0.80 POLB (0.46) ROCK2TP53MAPTSMN1; SMN2RXFP1
SCHEMBL18667183 0.80 TP53 (0.51) 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