SCHEMBL6958233

SCHEMBL6958233

CC(=O)O/N=C(\N)[C@@H]1CCCCN1S(=O)(=O)CC1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
JAK3 P52333 2/20 0.32
TYK2 P29597 1/20 0.32
SMYD3 Q9H7B4 4/20 0.32
FKBP1A P62942 6/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 1/20 0.31
MMP13 P45452 1/20 0.31
HTR1A P08908 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL6967183 1.00 JAK2 (0.32) JAK2JAK1JAK3TYK2SMYD3
SCHEMBL6962300 0.83 MEN1 (0.34) JAK2JAK1JAK3TYK2SMYD3
SCHEMBL6969165 0.82 JAK2 (0.30) JAK2JAK1JAK3TYK2
SCHEMBL6959434 0.81 SPHK1 (0.36) JAK2JAK1JAK3TYK2FKBP1A
SCHEMBL6959128 0.81 SPHK1 (0.36) JAK2JAK1JAK3TYK2FKBP1A
SCHEMBL6964491 0.80 KDM4E (0.35) SMYD3ALDH1A1
SCHEMBL6968537 0.80 ALOX5 (0.35) FKBP1AALDH1A1HTTMMP1MMP7
SCHEMBL7234982 0.78 L3MBTL1 (0.31) SMYD3
SCHEMBL7234984 0.78 L3MBTL1 (0.31) SMYD3
SCHEMBL6963805 0.75 ALDH1A1 (0.46) FKBP1AALDH1A1HTTMMP13

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
EP-1060178-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER (US) 2003-09-03 EP disclosed
US-6610707-B1 Moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases and nerve damage. PFIZER INC. 2003-08-26 US disclosed