SCHEMBL6776472

SCHEMBL6776472

Cc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3ccccc3Cl)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ADRA1D P25100 1/20 0.42
CD38 P28907 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TNF P01375 3/20 0.40
LMNA P02545 2/20 0.39
MAP3K14 Q99558 1/20 0.39
NOD2 Q9HC29 2/20 0.39
NOD1 Q9Y239 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL6773425 0.89 PLA2G2A (0.42) PLA2G2AALDH1A1MEN1KMT2ACD38
SCHEMBL6897295 0.88 MAPT (0.48) PLA2G2AALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6693243 0.88 ALDH1A1 (0.47) PLA2G2AALDH1A1MEN1KMT2AADRA1D
SCHEMBL6771810 0.88 ALDH1A1 (0.42) PLA2G2AALDH1A1MEN1KMT2AADRA1D
SCHEMBL6776614 0.87 PLA2G2A (0.44) PLA2G2AALDH1A1MEN1KMT2AADRA1D
SCHEMBL6776254 0.87 CD38 (0.41) PLA2G2AALDH1A1MEN1KMT2ACD38
SCHEMBL6775481 0.87 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AL3MBTL1LMNA
SCHEMBL6690357 0.87 PLA2G2A (0.51) PLA2G2AALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6775004 0.87 ALDH1A1 (0.42) PLA2G2AALDH1A1MEN1KMT2AADRA1D
SCHEMBL6781636 0.86 MCL1 (0.45) PLA2G2AMEN1KMT2ACD38KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713645-B1 INHIBITING SPLA2 MEDIATED RELEASE OF FATTY ACIDS FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK ELI LILLY AND COMPANY 2004-03-30 US disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP disclosed