SCHEMBL7338273

SCHEMBL7338273

CN(C(=O)c1ccc(NC(=N)N)cc1)c1nc2ccccc2c(=O)o1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.58
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
XBP1 P17861 1/20 0.45
GAA P10253 1/20 0.45
C1R P00736 6/20 0.45
PRSS1 P07477 3/20 0.44
HPGD P15428 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.41
TNKS O95271 1/20 0.41

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
SCHEMBL7333376 0.90 ELANE (0.54) ELANEALDH1A1KDM4EGAAC1R
SCHEMBL7333378 0.89 ELANE (0.50) ELANEALDH1A1KDM4EC1RPRSS1
SCHEMBL7329441 0.89 ELANE (0.63) ELANEC1RPRSS1
SCHEMBL7337855 0.88 ELANE (0.48) ELANEALDH1A1KDM4EC1RPRSS1
SCHEMBL7333539 0.85 ELANE (0.74) ELANEC1RPRSS1
SCHEMBL7338602 0.84 ELANE (0.51) ELANEALDH1A1KDM4EXBP1GAA
SCHEMBL7363986 0.82 ELANE (0.66) ELANEC1RPRSS1
SCHEMBL7332655 0.81 ELANE (0.59) ELANEC1RPRSS1
SCHEMBL7331994 0.81 ELANE (0.53) ELANEALDH1A1KDM4EC1RPRSS1
SCHEMBL7330994 0.80 ELANE (0.51) ELANEALDH1A1KDM4EC1RPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652237-A 2-substituted-4H-3, 1-benzoxazin-4-ones and benzthiazin-4-ones as inhibitors of complement C1r protease for the treatment of inflammatory processes WARNER-LAMBERT COMPANY (US) 1997-07-29 US claimed
WO-1996007648-A1 2-SUBSTITUTED-4H-3,1-BENZOXAZIN-4-ONES AND BENZTHIAZIN-4-ONES AS INHIBITORS OF COMPLEMENT Clr PROTEASE FOR THE TREATMENT OF INFLAMMATORY PROCESSES WARNER-LAMBERT COMPANY (US) 1996-03-14 WO claimed
US-5652237-A 2-substituted-4H-3, 1-benzoxazin-4-ones and benzthiazin-4-ones as inhibitors of complement C1r protease for the treatment of inflammatory processes WARNER-LAMBERT COMPANY (US) 1997-07-29 US disclosed
WO-1996007648-A1 2-SUBSTITUTED-4H-3,1-BENZOXAZIN-4-ONES AND BENZTHIAZIN-4-ONES AS INHIBITORS OF COMPLEMENT Clr PROTEASE FOR THE TREATMENT OF INFLAMMATORY PROCESSES WARNER-LAMBERT COMPANY (US) 1996-03-14 WO disclosed