SCHEMBL6897102

SCHEMBL6897102

COC(=O)c1cccc2c1c1c(O)cc(-c3ccc(Cl)cc3)cc1n2Cc1ccccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
HSP90B1 P14625 1/20 0.42
P2RX7 Q99572 1/20 0.42
ABCB1 P08183 1/20 0.41
EPHX2 P34913 5/20 0.41
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
KIF11 P52732 3/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
LDHA P00338 1/20 0.39
DRD2 P14416 1/20 0.38
TBXA2R P21731 1/20 0.38
RORC P51449 2/20 0.38
HSD17B13 Q7Z5P4 2/20 0.38
PPARG P37231 2/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL6776501 0.89 EPHX2 (0.40) EPHX2NR1H2NR1H3KIF11RORC
SCHEMBL6889740 0.88 SLC6A4 (0.41) HSP90AA1HSP90B1P2RX7ABCB1SLC6A4
SCHEMBL6887896 0.88 MAPT (0.44) ABCB1SLC6A4SLC6A3DRD2TBXA2R
SCHEMBL6897905 0.87 DRD2 (0.43) HSP90AA1HSP90B1SLC6A4SLC6A3DRD2
SCHEMBL6896346 0.86 SLC6A3 (0.41) HSP90AA1HSP90B1P2RX7ABCB1SLC6A4
SCHEMBL6896006 0.86 RORC (0.42) HSP90AA1HSP90B1P2RX7EPHX2KIF11
SCHEMBL6690879 0.86 DRD2 (0.47) P2RX7SLC6A4SLC6A3DRD2TBXA2R
SCHEMBL6694438 0.86 P2RX7 (0.44) HSP90AA1HSP90B1P2RX7EPHX2KIF11
SCHEMBL6894724 0.85 SLC6A3 (0.48) SLC6A4SLC6A3DRD2TBXA2RPPARG
SCHEMBL6889876 0.85 MAPK8 (0.44) SLC6A4SLC6A3DRD2TBXA2R

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