SCHEMBL29480699

SCHEMBL29480699

CS(=O)(=O)N1CCC(C(=O)c2ccc(Br)nc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
TP53 P04637 3/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 2/20 0.45
CYP11B2 P19099 1/20 0.45
ALDH1A1 P00352 4/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC18A3 Q16572 2/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL22716934 1.00 NPSR1 (0.53) NPSR1MAPTL3MBTL1TP53LMNA
SCHEMBL13897436 0.82 NPSR1 (0.59) NPSR1MAPTL3MBTL1TP53LMNA
SCHEMBL22736231 0.81 NPC1 (0.41) MEN1KMT2ASLC18A3
SCHEMBL22004077 0.80 KCNH2 (0.43) MAPTL3MBTL1TP53LMNATSHR
SCHEMBL7315799 0.76 L3MBTL1 (0.76) NPSR1MAPTL3MBTL1TP53LMNA
SCHEMBL7315808 0.76 L3MBTL1 (0.76) NPSR1MAPTL3MBTL1TP53LMNA
SCHEMBL3595154 0.76 NPSR1 (0.70) NPSR1MAPTL3MBTL1TP53LMNA
SCHEMBL29480691 0.75 KMT2A (0.51) KMT2A
SCHEMBL21795781 0.75 KMT2A (0.51) KMT2A
SCHEMBL22003706 0.75 MEN1 (0.54) TSHRMEN1KMT2ASLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174294-B Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2024-10-25 CN disclosed
EP-3976612-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD (IN) 2022-04-06 EP disclosed
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 CN disclosed