SCHEMBL7965330

SCHEMBL7965330

COc1ccc2c(c1)c(CC(N)=O)c(C)n2Cc1cccc(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 19/20 1.00
PLA2G1B P04054 1/20 0.69
MEN1 O00255 1/20 0.66
RGS12 O14924 1/20 0.66
ALDH1A1 P00352 1/20 0.66
LMNA P02545 1/20 0.66
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
MAPT P10636 1/20 0.66
CYP2C9 P11712 1/20 0.66
PKM P14618 1/20 0.66
TSHR P16473 1/20 0.66
NFKB1 P19838 1/20 0.66
MAPK1 P28482 1/20 0.66
CYP2C19 P33261 1/20 0.66
GNAI1 P63096 1/20 0.66
PMP22 Q01453 1/20 0.66
KMT2A Q03164 1/20 0.66
HIF1A Q16665 1/20 0.66

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
SCHEMBL6025292 0.91 PLA2G2A (0.84) PLA2G2APLA2G1BMEN1RGS12ALDH1A1
SCHEMBL7953243 0.91 PLA2G2A (1.00) PLA2G2APLA2G1B
SCHEMBL7953268 0.89 PLA2G2A (1.00) PLA2G2A
SCHEMBL7962138 0.88 PLA2G2A (0.79) PLA2G2APLA2G1BMEN1RGS12ALDH1A1
SCHEMBL7962842 0.88 PLA2G2A (0.83) PLA2G2A
SCHEMBL7964724 0.86 PLA2G2A (0.81) PLA2G2A
SCHEMBL7964781 0.86 PLA2G2A (0.79) PLA2G2APLA2G1B
SCHEMBL8610794 0.84 PTGS2 (0.82) PLA2G2APLA2G1BMEN1RGS12ALDH1A1
SCHEMBL7965081 0.84 PLA2G2A (0.86) PLA2G2APLA2G1B
SCHEMBL7963970 0.82 PLA2G2A (1.00) PLA2G2APLA2G1B

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