SCHEMBL6889569

SCHEMBL6889569

COC(=O)c1cccc2c1c1c(O)cc(-c3ccccc3)cc1n2Cc1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 8/20 0.43
CYP19A1 P11511 1/20 0.42
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
POLB P06746 1/20 0.38
AR P10275 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
FAAH O00519 1/20 0.38
PLA2G1B P04054 1/20 0.38
PLA2G2A P14555 1/20 0.38
CFTR P13569 1/20 0.37
SLC6A3 Q01959 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
SCHEMBL6896588 0.92 PLA2G2A (0.44) MAPK8ARALDH1A1GAAMAPT
SCHEMBL6694644 0.92 AR (0.45) MAPK8MTNR1AMTNR1BARALDH1A1
SCHEMBL6897098 0.92 CYP19A1 (0.44) MAPK8CYP19A1POLBMAPTPLA2G2A
SCHEMBL6898378 0.89 ACMSD (0.39) MAPK8ARALDH1A1GAAMAPT
SCHEMBL6885056 0.89 MAPT (0.46) MAPK8POLBARALDH1A1GAA
SCHEMBL6899653 0.89 F10 (0.42) MAPK8MTNR1AMTNR1BPOLBMAPT
SCHEMBL6893709 0.88 MAPT (0.47) POLBARALDH1A1GAAMAPT
SCHEMBL6897173 0.88 MAPT (0.44) POLBGAAMAPT
SCHEMBL6895193 0.88 POLB (0.39) MAPK8MTNR1AMTNR1BPOLBGAA
SCHEMBL6897569 0.88 MAPT (0.40) MAPK8POLBALDH1A1GAAMAPT

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