SCHEMBL28637052

SCHEMBL28637052

Cc1ccc(S(=O)(=O)n2ccc3c(NC4CC(C(=O)O)C4)c(N)cnc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 5/20 0.37
POLB P06746 1/20 0.35
HTR6 P50406 1/20 0.35
PTPN11 Q06124 1/20 0.35
CCR6 P51684 2/20 0.34
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C9 P11712 2/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
EPHX2 P34913 1/20 0.33
BRD4 O60885 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL29172444 0.91 L3MBTL1 (0.38) L3MBTL1ALDH1A1HTR6CCR6KMT2A
SCHEMBL26638293 0.91 L3MBTL1 (0.38) L3MBTL1ALDH1A1HTR6CCR6KMT2A
SCHEMBL28637033 0.87 L3MBTL1 (0.36) L3MBTL1ALDH1A1HTR6PTPN11CCR6
SCHEMBL28628580 0.87 L3MBTL1 (0.36) L3MBTL1ALDH1A1HTR6PTPN11CCR6
SCHEMBL28634161 0.86 L3MBTL1 (0.37) L3MBTL1TSHRALDH1A1POLBPTPN11
SCHEMBL9989458 0.85 L3MBTL1 (0.41) L3MBTL1TSHRALDH1A1HTR6CCR6
SCHEMBL30798285 0.84 KMT2A (0.38) L3MBTL1POLBMEN1KMT2A
SCHEMBL26638100 0.84 KMT2A (0.38) L3MBTL1POLBMEN1KMT2A
SCHEMBL26638016 0.84 KMT2A (0.38) L3MBTL1POLBMEN1KMT2A
SCHEMBL30811342 0.80 L3MBTL1 (0.40) L3MBTL1ALDH1A1POLBHTR6CCR6

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-113396150-A Tricyclic JANUS kinase 1 inhibitors, compositions and methods thereof 凌科药业(杭州)有限公司 2021-09-14 CN disclosed