SCHEMBL6777045

SCHEMBL6777045

Cc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3cccc(C#N)c3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.46
KLK1 P06870 1/20 0.46
ADRA1D P25100 1/20 0.45
MAPK8 P45983 1/20 0.41
CCR2 P41597 1/20 0.41
FEN1 P39748 1/20 0.40
PLA2G2A P14555 2/20 0.40
IDH1 O75874 1/20 0.40
POLB P06746 1/20 0.39
BRD4 O60885 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDM1A O60341 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
PIK3R1 P27986 3/20 0.37
PIK3CA P42336 3/20 0.37
HCRTR2 O43614 1/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
FAAH O00519 1/20 0.37

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
SCHEMBL6699063 0.90 ADRA1D (0.49) KLKB1KLK1ADRA1DMAPK8CCR2
SCHEMBL6772821 0.89 ADRA1D (0.44) KLKB1KLK1ADRA1DMAPK8CCR2
SCHEMBL6896662 0.88 KLKB1 (0.44) KLKB1KLK1CCR2FEN1IDH1
SCHEMBL6772182 0.87 ADRA1D (0.43) KLKB1KLK1ADRA1DMAPK8CCR2
SCHEMBL6691732 0.87 ADRA1D (0.44) ADRA1DMAPK8FEN1PLA2G2APOLB
SCHEMBL6774631 0.87 ADRA1D (0.44) KLKB1KLK1ADRA1DMAPK8CCR2
SCHEMBL6690357 0.86 PLA2G2A (0.51) PLA2G2APOLB
SCHEMBL6776550 0.85 ADRA1D (0.41) KLKB1KLK1ADRA1DMAPK8CCR2
SCHEMBL6775268 0.85 ADRA1D (0.48) KLKB1KLK1ADRA1DMAPK8CCR2
SCHEMBL6775492 0.85 PLA2G2A (0.41) KLKB1MAPK8FEN1PLA2G2APOLB

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