SCHEMBL19984716

SCHEMBL19984716

O=C1Nc2cc(Br)ccc2SN2CCCC12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 5/20 0.41
MAPT P10636 5/20 0.41
GAA P10253 4/20 0.41
PARP1 P09874 4/20 0.39
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
HPGD P15428 3/20 0.36
MEN1 O00255 3/20 0.36
HSD17B10 Q99714 3/20 0.36
ALOX15 P16050 2/20 0.36
CHEK1 O14757 1/20 0.36
MAP2K1 Q02750 1/20 0.36
PABPC1 P11940 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CMA1 P23946 1/20 0.34
AHR P35869 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
SCHEMBL19984752 0.96 PARP1 (0.41) ALDH1A1KDM4EMAPTGAAPARP1
SCHEMBL19984539 0.78 HSD17B10 (0.59) ALDH1A1GAAPARP1KMT2ASMN1; SMN2
SCHEMBL19984617 0.74 HTT (0.62) ALDH1A1KDM4EMAPTGAAKMT2A
SCHEMBL19984542 0.73 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTGAAPARP1
SCHEMBL6540956 0.71 KMT2A (0.66) ALDH1A1KDM4EMAPTGAAPARP1
SCHEMBL31694053 0.71 KMT2A (0.66) ALDH1A1KDM4EMAPTGAAPARP1
SCHEMBL19984618 0.69 KMT2A (0.39) ALDH1A1KDM4EMAPTGAAPARP1
SCHEMBL10281626 0.64 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTGAAPARP1
SCHEMBL708740 0.64 ALDH1A1 (0.72) ALDH1A1KDM4EMAPTGAAPARP1
SCHEMBL22278441 0.63 KMT2A (0.48) ALDH1A1KDM4EMAPTGAAPARP1

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