SCHEMBL28344665

SCHEMBL28344665

NC(=S)Nc1cc(N)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ CYP1A2 P05177 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ ALOX12 P18054 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ TP53 P04637 1/20 0.39
▸ TYR P14679 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TAS2R38 P59533 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL30356304 0.83 GAA (0.46) L3MBTL1ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL10573677 0.79 HDAC2 (0.46) KMT2AMEN1CYP1A2KDM4ECYP2C9
SCHEMBL25046191 0.76 ALDH1A1 (0.41) L3MBTL1ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL1116302 0.74 L3MBTL1 (0.61) L3MBTL1ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL1708819 0.73 HDAC1 (0.62) ALDH1A1KMT2AMEN1CYP2C19MAPT
SCHEMBL19511618 0.73 MAPT (0.40) ALDH1A1KMT2AMEN1CYP3A4KDM4E
SCHEMBL3158954 0.72 MAPT (0.43) ALDH1A1KMT2AMEN1CYP1A2CYP3A4
SCHEMBL1708815 0.70 CASP1 (0.39) ALDH1A1KMT2AMEN1CYP3A4KDM4E
SCHEMBL4968264 0.69 HDAC1 (0.58) L3MBTL1ALDH1A1KMT2AMEN1KDM4E
SCHEMBL30356294 0.69 KMT2A (0.48) L3MBTL1ALDH1A1KMT2AMEN1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669505-B Preparation method and application of red fluorescence enhanced probe for detecting mercury ions 福建师范大学 2022-07-12 — — CN claimed
CN-110669505-A Preparation method and application of red fluorescence enhanced probe for detecting mercury ions 福建师范大学 2020-01-10 — — CN claimed
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