SCHEMBL8896676

SCHEMBL8896676

CN(C(=O)c1ccco1)c1nc2ccccc2c(=O)o1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.66
C1R P00736 7/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PRSS1 P07477 5/20 0.46

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
SCHEMBL7333539 0.83 ELANE (0.74) ELANEC1RNPC1RAB9APRSS1
SCHEMBL7332303 0.80 ELANE (1.00) ELANEC1RPRSS1
SCHEMBL8896024 0.79 ELANE (0.67) ELANEC1RPRSS1
SCHEMBL7364114 0.79 ELANE (0.67) ELANEC1RPRSS1
SCHEMBL7329441 0.78 ELANE (0.63) ELANEC1RPRSS1
SCHEMBL7339628 0.78 ELANE (0.66) ELANEC1RKMT2APRSS1
SCHEMBL7366730 0.78 ELANE (0.66) ELANEC1RKMT2APRSS1
SCHEMBL7333602 0.78 ELANE (0.66) ELANEC1RPRSS1
SCHEMBL8897484 0.78 ELANE (0.66) ELANEC1RPRSS1
SCHEMBL7369323 0.78 ELANE (0.66) ELANEC1RPRSS1

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-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