SCHEMBL6780736

SCHEMBL6780736

CC(C)S(=O)(=O)Nc1cccc(C2=NCCc3ccc(F)cc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 5/20 0.43
KDM1A O60341 3/20 0.43
GRIA2 P42262 3/20 0.41
KCNH2 Q12809 2/20 0.40
KCNA5 P22460 1/20 0.40
AAK1 Q2M2I8 2/20 0.39
SYK P43405 1/20 0.39
PARP1 P09874 1/20 0.38
CYP2D6 P10635 2/20 0.37
MAP2K7 O14733 1/20 0.37
MAP2K4 P45985 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
NPY5R Q15761 1/20 0.36
MAPK9 P45984 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
SCHEMBL6718368 0.82 LMNA (0.51) MAPK10
SCHEMBL6717907 0.81 PFKFB3 (0.55) MAPK10MAPK9MAPK14
SCHEMBL6724800 0.80 UQCRB (0.47) ALDH1A1
SCHEMBL6720515 0.79 MAPK10 (0.46) MAPK10SYKMAPK9MAPK14
SCHEMBL6716742 0.79 PFKFB3 (0.48) SYK
SCHEMBL6720559 0.79 ALDH1A1 (0.48) ALDH1A1TSHR
SCHEMBL6718324 0.78 TSHR (0.47) MAP2K4TSHR
SCHEMBL6716920 0.77 SMN1; SMN2 (0.61) MAPK10ALDH1A1
SCHEMBL6717825 0.77 MAPK10 (0.41) MAPK10MAP2K7MAP2K4MAPK9MAPK14
SCHEMBL7067036 0.77 HSD17B1 (0.46) MAPK10

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
US-6818651-B2 ANTIINFLAMMATORY, ANTIASTHMATIC, SKIN, AND AUTOIMMUNE DISORDERS; CROHN*S DISEASE, ULCERATIVE COLITIS, CONJUCTIVITIS, MULTIPLE SCLEROSIS, AND RHEUMATOID ARTHRITIS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE ALTANA PHARMA AG (DE) 2004-11-16 US disclosed