SCHEMBL23018554

SCHEMBL23018554

CNCc1cnc(N2CCC(=O)CC2)s1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
OGA O60502 4/20 0.35
LMNA P02545 2/20 0.34
THRB P10828 1/20 0.34
HRH3 Q9Y5N1 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
SCHEMBL23018564 0.82 GAA (0.52) TDP1SMN1; SMN2GAAALDH1A1OGA
SCHEMBL21229095 0.82 GAA (0.36) SMN1; SMN2GAAALDH1A1HDAC3HDAC4
Hydrochloric Acid SCHEMBL18641370 0.79 OGA (0.46) TDP1SMN1; SMN2GAAALDH1A1OGA
SCHEMBL18667145 0.78 L3MBTL1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18641375 0.72 HRH3 (0.36) SMN1; SMN2GAAALDH1A1OGAHRH3
SCHEMBL18667148 0.70 EIF2AK4 (0.35) SMN1; SMN2GAAALDH1A1LMNA
SCHEMBL17541603 0.69 OGA (0.78) OGA
SCHEMBL21229034 0.68 TDP1 (0.50) TDP1HDAC3HDAC4HDAC1HDAC7
SCHEMBL3071381 0.68 LMNA (0.43) TDP1ALDH1A1HDAC3HDAC4HDAC1
SCHEMBL18667317 0.67 SMN1; SMN2 (0.52) TDP1SMN1; SMN2GAAALDH1A1OGA

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
EP-3782626-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2021-02-24 EP disclosed