SCHEMBL6774411

SCHEMBL6774411

NC(=O)c1cccc2c1c1c(O)cccc1n2Cc1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
RPS6KB1 P23443 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PLA2G2A P14555 2/20 0.40
MAPK8 P45983 1/20 0.40
CD38 P28907 1/20 0.39
FEN1 P39748 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
PARP10 Q53GL7 1/20 0.36
FABP4 P15090 1/20 0.35

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
SCHEMBL6776254 0.88 CD38 (0.41) AURKARPS6KB1PARP1PARP2ALDH1A1
SCHEMBL6782214 0.88 PARP1 (0.39) AURKARPS6KB1PARP1PARP2PLA2G2A
SCHEMBL6776238 0.86 CD38 (0.38) AURKARPS6KB1PARP1PARP2ALDH1A1
SCHEMBL6888996 0.85 TSHR (0.46) ALDH1A1TSHRKDM4EHPGDHSD17B10
SCHEMBL6693243 0.85 ALDH1A1 (0.47) AURKARPS6KB1ALDH1A1TSHRKDM4E
SCHEMBL6693619 0.85 ALDH1A1 (0.47) AURKARPS6KB1ALDH1A1TSHRKDM4E
SCHEMBL6691170 0.85 PLA2G2A (0.46) AURKARPS6KB1PARP1ALDH1A1TSHR
SCHEMBL6770455 0.85 CD38 (0.38) AURKARPS6KB1PARP1PARP2ALDH1A1
SCHEMBL6771780 0.84 IKBKB (0.37) AURKARPS6KB1PARP1PARP2PLA2G2A
SCHEMBL6690888 0.84 MEN1 (0.47) AURKARPS6KB1ALDH1A1TSHRKDM4E

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