SCHEMBL8404952

SCHEMBL8404952

CC(=O)On1c(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ncc(NC(=O)OCc2ccccc2)c1=O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.52
CYP19A1 P11511 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
P2RX3 P56373 1/20 0.39
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38

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
SCHEMBL8401266 0.92 ELANE (0.60) ELANECYP19A1NPC1RAB9A
SCHEMBL27451145 0.87 ELANE (0.55) ELANENPC1RAB9A
SCHEMBL27467025 0.84 ELANE (0.51) ELANENPC1RAB9A
SCHEMBL6556272 0.84 ELANE (0.61) ELANENPC1RAB9AP2RX3
SCHEMBL8401406 0.83 ELANE (0.50) ELANENPC1RAB9A
SCHEMBL8401430 0.83 ELANE (0.59) ELANENPC1RAB9A
SCHEMBL8401403 0.83 ELANE (0.58) ELANENPC1RAB9AP2RX3
SCHEMBL6556097 0.82 ELANE (0.56) ELANECYP19A1NPC1RAB9AP2RX3
SCHEMBL8401199 0.82 ELANE (0.59) ELANENPC1RAB9A
SCHEMBL8405263 0.82 ELANE (0.58) ELANENPC1RAB9A

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-5948785-A USEFUL AS CHYMASE INHIBITORS AND CAN BE EFFECTIVE FOR THE PROPHYLAXIS AND TREATMENT OF VARIOUS DISEASES CAUSED BY CHYMASE, SUCH AS THOSE CAUSED BY ANGIOTENSIN II. THE GREEN CROSS CORPORATION (JP) 1999-09-07 US disclosed