SCHEMBL6691476

SCHEMBL6691476

COC(=O)c1cccc2c1c1c(n2Cc2cccnc2)CCCC1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
GABRA1 P14867 1/20 0.39
GABRA5 P31644 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CREBBP Q92793 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
SCHEMBL5207833 0.88 HDAC1 (0.51) KDM4EHDAC1HDAC6KMT2AMEN1
SCHEMBL6694057 0.85 MAPT (0.45) KDM4EHDAC1HDAC6ALDH1A1KMT2A
SCHEMBL6691868 0.84 HDAC1 (0.47) HDAC1HDAC6ALDH1A1LMNA
SCHEMBL6693334 0.84 HDAC1 (0.43) KDM4EHDAC1HDAC6
SCHEMBL6782203 0.84 HDAC1 (0.45) HDAC1HDAC6
SCHEMBL6693631 0.84 HDAC1 (0.45) KDM4EHDAC1HDAC6LMNASMN1; SMN2
SCHEMBL6691809 0.83 HDAC1 (0.44) KDM4EHDAC1HDAC6SMN1; SMN2
SCHEMBL6775629 0.83 HDAC1 (0.44) HDAC1HDAC6
SCHEMBL6780169 0.83 HDAC1 (0.44) HDAC1HDAC6
SCHEMBL6692697 0.83 HDAC1 (0.41) KDM4ETSHRMAPK1HDAC1HDAC6

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
EP-0952149-B1 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors LILLY CO ELI (US) 2004-06-09 EP disclosed
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