SCHEMBL6896662

SCHEMBL6896662

COC(=O)c1cccc2c1c1c(O)cc(C)cc1n2Cc1cccc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 1/20 0.44
KLK1 P06870 1/20 0.44
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
GRIN1 Q05586 3/20 0.41
GRIN2B Q13224 3/20 0.41
HCRTR2 O43614 1/20 0.40
CCR2 P41597 1/20 0.40
AR P10275 1/20 0.39
PIK3R1 P27986 2/20 0.39
PIK3CA P42336 2/20 0.39
FEN1 P39748 1/20 0.39
IDH1 O75874 1/20 0.39
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR6 P46095 1/20 0.38
FAAH O00519 1/20 0.38
BRD4 O60885 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6694145 0.91 KLKB1 (0.46) KLKB1KLK1POLBRXFP1GRIN1
SCHEMBL6886044 0.90 KLKB1 (0.42) KLKB1KLK1POLBRXFP1GRIN1
SCHEMBL6895364 0.89 GRIN1 (0.45) KLKB1KLK1POLBRXFP1GRIN1
SCHEMBL6777045 0.88 KLKB1 (0.46) KLKB1KLK1POLBRXFP1GRIN1
SCHEMBL6691521 0.88 MAPT (0.49) POLBMAPTTHRBSMN1; SMN2KDM4E
SCHEMBL6896074 0.88 KLKB1 (0.41) KLKB1KLK1POLBRXFP1GRIN1
SCHEMBL6689196 0.87 GAA (0.47) ARMAPTTHRBSMN1; SMN2KDM4E
SCHEMBL6895025 0.86 GRIN1 (0.45) KLKB1KLK1POLBRXFP1GRIN1
SCHEMBL6897854 0.86 KLKB1 (0.39) KLKB1KLK1POLBRXFP1GRIN1
SCHEMBL6688534 0.85 MAPT (0.45) POLBGRIN1GRIN2BMAPTTHRB

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