SCHEMBL19984617

SCHEMBL19984617

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.62
LMNA P02545 2/20 0.61
HSD17B10 Q99714 6/20 0.60
ALOX15 P16050 5/20 0.60
ALDH1A1 P00352 6/20 0.58
TSHR P16473 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 1/20 0.46
PABPC1 P11940 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 4/20 0.42
MAPT P10636 4/20 0.42
USP2 O75604 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ATM Q13315 1/20 0.41
OPRL1 P41146 1/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL19984539 0.86 HSD17B10 (0.59) HTTLMNAHSD17B10ALOX15ALDH1A1
SCHEMBL2507969 0.79 HSD17B10 (0.93) HTTLMNAHSD17B10ALOX15ALDH1A1
SCHEMBL19984555 0.78 ALOX15 (0.60) HTTLMNAHSD17B10ALOX15ALDH1A1
SCHEMBL19984752 0.78 PARP1 (0.41) HTTLMNAHSD17B10ALOX15ALDH1A1
SCHEMBL19984543 0.75 ALOX15 (0.64) HTTLMNAHSD17B10ALOX15ALDH1A1
SCHEMBL29256255 0.71 POLB (0.72) HTTLMNAALOX15ALDH1A1TSHR
SCHEMBL713441 0.70 HSD17B10 (0.61) HTTLMNAHSD17B10ALOX15ALDH1A1
SCHEMBL708632 0.70 HSD17B10 (0.61) HTTLMNAHSD17B10ALOX15ALDH1A1
SCHEMBL21905597 0.70 HTT (0.63) HTTLMNAHSD17B10ALOX15ALDH1A1
SCHEMBL21972670 0.69 HTT (0.61) HTTLMNAHSD17B10ALOX15ALDH1A1

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