SCHEMBL28113916

SCHEMBL28113916

O=C=Cn1c(=O)cc[nH]c1=S

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.31
BRD4 O60885 1/20 0.30
TAF1 P21675 1/20 0.30
BRPF1 P55201 1/20 0.30
CREBBP Q92793 1/20 0.30
CECR2 Q9BXF3 1/20 0.30
BRD9 Q9H8M2 1/20 0.30

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
SCHEMBL825561 0.81 BRD4 (0.32) BRD4TAF1BRPF1CREBBPCECR2
SCHEMBL28021089 0.66
SCHEMBL297038 0.66
SCHEMBL28020818 0.66
SCHEMBL6065591 0.66
SCHEMBL8652646 0.66
SCHEMBL28021092 0.66
SCHEMBL1134255 0.65 MMP2 (0.34) MMP2ALDH1A1POLBMAPTTP53
SCHEMBL26948699 0.62 ALDH1A1 (0.49) ALDH1A1POLBMAPT
SCHEMBL7546872 0.62 ALDH1A1 (0.42) MMP2ALDH1A1POLBMAPTTP53

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
CN-106170553-A Modified nucleic acid molecules and uses thereof 现代治疗公司 2016-11-30 CN claimed