SCHEMBL9645722

SCHEMBL9645722

CC(C)C(=O)N1C=CN(c2ccccc2)NC1=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
ALOX5 P09917 2/20 0.33
RIPK1 Q13546 1/20 0.33
CFTR P13569 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 3/20 0.32
G6PD P11413 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL9644526 0.82 KMT2A (0.39) ALOX5CFTRALDH1A1SMN1; SMN2GAA
SCHEMBL9645196 0.78 LMNA (0.37) ELANEALOX5CFTRKDM4EALDH1A1
SCHEMBL9644474 0.71 GSK3A (0.41) ALOX5CFTRKDM4EALDH1A1LMNA
SCHEMBL9646990 0.67 ELANE (0.37) ELANEALOX5CFTRLMNASMN1; SMN2
SCHEMBL9645370 0.66 DDB1 (0.42) ELANECFTRKDM4EALDH1A1LMNA
SCHEMBL9645716 0.65 ALOX5 (0.46) ELANEALOX5ALDH1A1SMN1; SMN2GAA
SCHEMBL9644496 0.60 KMT2A (0.41) KDM4EALDH1A1HTTSMN1; SMN2GAA
SCHEMBL9891789 0.60 MAPK1 (0.62) ALDH1A1LMNAHTTSMN1; SMN2GAA
SCHEMBL9644558 0.60 ALOX5 (0.38) ALOX5SMN1; SMN2GAAG6PDL3MBTL1
SCHEMBL1230085 0.60 CFTR (0.59) CFTRKDM4ESMN1; SMN2GAAL3MBTL1

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
US-5086052-A Antiarthritic, antiallergens, antiinflammatory agents; also for asthma and psoriasis ABBOTT LABORATORIES (US) 1992-02-04 US disclosed
US-4970210-A ENZYME INHIBITORS ABBOTT LABORATORIES (US) 1990-11-13 US disclosed