SCHEMBL7962237

SCHEMBL7962237

Cc1cc2cc([N+](=O)[O-])ccc2n1Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.60
PLA2G2A P14555 1/20 0.54
CCR2 P41597 2/20 0.53
CYP19A1 P11511 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CFTR P13569 2/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL6086406 0.88 MEN1 (0.56) ARCCR2MEN1KMT2AGAA
SCHEMBL27361127 0.87 PKM (0.53) ARCYP19A1MEN1KMT2AL3MBTL1
SCHEMBL11616337 0.85 CCR2 (0.57) ARPLA2G2ACCR2CYP19A1CFTR
SCHEMBL6611835 0.82 CYP1A2 (0.50) ARCCR2CYP19A1MEN1KMT2A
SCHEMBL15712743 0.82 CCR2 (0.77) PLA2G2ACCR2
SCHEMBL2965240 0.81 CFTR (0.50) PLA2G2ACCR2CFTR
SCHEMBL17060318 0.80 NOD2 (0.60) ARPLA2G2ACCR2MEN1KMT2A
SCHEMBL1252366 0.80 CCR2 (0.51) PLA2G2ACCR2CYP19A1MEN1KMT2A
SCHEMBL27532542 0.79 PLA2G2A (0.50) ARPLA2G2ACCR2CYP19A1MEN1
SCHEMBL31441369 0.79 MEN1 (0.71) MEN1KMT2AGAARAB9AL3MBTL1

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-6252084-B1 THERAPY FOR SEPSIS SHOCK ELI LILLY AND COMPANY 2001-06-26 US disclosed
EP-0620215-B1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors LILLY CO ELI (US) 1999-08-18 EP disclosed
US-5684034-A INHIBITORS OF HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2, TREATMENT OF SEPTIC SHOCK, TRAUMA, RESPIRATORY DISORDERS, RHEUMATIC ARTHRITIS, INHIBITORS OF ARACHIDONIC ACID RELEASE ELI LILLY AND COMPANY (US) 1997-11-04 US disclosed
EP-0620215-A1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed