SCHEMBL6694438

SCHEMBL6694438

COC(=O)c1cccc2c1c1c(O)cccc1n2Cc1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
KIF11 P52732 5/20 0.44
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
HSP90AA1 P07900 1/20 0.42
HSP90B1 P14625 1/20 0.42
RORC P51449 2/20 0.42
EPHX2 P34913 2/20 0.42
FABP3 P05413 1/20 0.41
FABP4 P15090 1/20 0.41
RBP4 P02753 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP2C9 P11712 1/20 0.41
PPARG P37231 1/20 0.41
C5AR1 P21730 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 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
SCHEMBL6896006 0.90 RORC (0.42) P2RX7KIF11HSP90AA1HSP90B1RORC
SCHEMBL6895550 0.89 KIF11 (0.42) P2RX7KIF11HSP90AA1HSP90B1RORC
SCHEMBL6894778 0.87 KIF11 (0.41) P2RX7KIF11HSP90AA1HSP90B1RORC
SCHEMBL6692824 0.86 AURKA (0.43) KIF11RORCEPHX2FABP3FABP4
SCHEMBL6897102 0.86 HSP90AA1 (0.42) P2RX7KIF11HSP90AA1HSP90B1RORC
SCHEMBL6691803 0.85 LMNA (0.47) P2RX7TSHRLMNAHSP90AA1HSP90B1
SCHEMBL6894818 0.84 HSP90AA1 (0.39) P2RX7KIF11HSP90AA1HSP90B1RORC
SCHEMBL6689180 0.84 LMNA (0.47) TSHRLMNATDP1KDM4EMEN1
SCHEMBL6888996 0.83 TSHR (0.46) TSHRLMNAHSP90AA1HSP90B1CYP2C9
SCHEMBL6688455 0.83 MAPT (0.48) TSHRLMNATDP1CYP2C9KDM4E

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