SCHEMBL28623210

SCHEMBL28623210

O=S1(=O)CCN(CCc2ccc(Br)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ THRB P10828 1/20 0.46
▸ SIGMAR1 Q99720 2/20 0.45
▸ ADRA1D P25100 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ ADRA1B P35368 1/20 0.45
▸ HRH3 Q9Y5N1 3/20 0.44
▸ MBTD1 Q05BQ5 1/20 0.44
▸ L3MBTL3 Q96JM7 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KCNJ1 P48048 2/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SLC6A3 Q01959 1/20 0.42

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
SCHEMBL2730391 0.83 SIGMAR1 (0.57) THRBSIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL12394322 0.83 SIGMAR1 (0.55) MEN1KMT2ASIGMAR1HRH3MBTD1
SCHEMBL13595130 0.83 MEN1 (0.70) MEN1KMT2ASIGMAR1ADRA1DADRA1A
SCHEMBL10256869 0.82 SLC6A3 (0.63) MEN1KMT2ASIGMAR1KCNH2CYP3A4
SCHEMBL1427500 0.82 KMT2A (0.69) MEN1KMT2AALDH1A1CYP2C19
SCHEMBL1239240 0.80 SIGMAR1 (0.57) THRBSIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL1241103 0.80 HRH3 (0.68) SIGMAR1HRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL4960414 0.80 HRH3 (0.62) SIGMAR1HRH3MBTD1L3MBTL3L3MBTL1
SCHEMBL13595098 0.79 MEN1 (0.47) MEN1KMT2ASIGMAR1HRH3MBTD1
SCHEMBL6627983 0.78 HRH3 (0.71) SIGMAR1HRH3MBTD1L3MBTL3L3MBTL1

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-108341814-B JAK kinase inhibitors and uses thereof 上海翔锦生物科技有限公司 2021-09-03 — — CN disclosed
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