SCHEMBL19984539

SCHEMBL19984539

O=C(O)c1ccc2c(c1)NC(=O)C1CCCCN1S2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
PABPC1 P11940 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
POLB P06746 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.43
ALOX15 P16050 3/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
PARP1 P09874 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL19984617 0.86 HTT (0.62) HSD17B10L3MBTL1PABPC1TDP1POLB
SCHEMBL19984752 0.81 PARP1 (0.41) HSD17B10L3MBTL1PABPC1TDP1SMN1; SMN2
SCHEMBL2505469 0.77 HSD17B10 (0.69) HSD17B10L3MBTL1SMN1; SMN2ALOX15ALDH1A1
SCHEMBL19984537 0.75 HSD17B10 (0.46) HSD17B10L3MBTL1PABPC1TDP1POLB
SCHEMBL19984544 0.71 HSD17B10 (0.47) HSD17B10L3MBTL1PABPC1TDP1POLB
SCHEMBL21291476 0.71 RAB9A (0.40) TDP1POLBSMN1; SMN2HTTLMNA
SCHEMBL3487973 0.67 POLB (1.00) HSD17B10L3MBTL1PABPC1TDP1POLB
SCHEMBL750897 0.67 POLB (1.00) HSD17B10L3MBTL1PABPC1TDP1POLB
SCHEMBL24124669 0.65 POLB (0.70) HSD17B10L3MBTL1PABPC1TDP1POLB
SCHEMBL19984639 0.65 HSD17B10 (0.48) HSD17B10L3MBTL1PABPC1TDP1POLB

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