SCHEMBL6776238

SCHEMBL6776238

CCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3ccccc3Br)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.38
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 1/20 0.38
AURKA O14965 1/20 0.35
RPS6KB1 P23443 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PLA2G2A P14555 6/20 0.35
MAPK8 P45983 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
PLA2G1B P04054 1/20 0.34
FEN1 P39748 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CNR2 P34972 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL6892130 0.90 HSP90AA1 (0.38) NPC1ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL6771775 0.89 PPARG (0.39) CD38PARP1PARP2SIRT2CNR2
SCHEMBL6780594 0.89 MEN1 (0.43) CD38PARP1AURKARPS6KB1ALDH1A1
SCHEMBL6771810 0.88 ALDH1A1 (0.42) CD38ALDH1A1PLA2G2AMEN1KMT2A
SCHEMBL6773681 0.88 ALDH1A1 (0.42) AURKARPS6KB1NPC1ALDH1A1RAB9A
SCHEMBL6776254 0.88 CD38 (0.41) CD38PARP1PARP2AURKARPS6KB1
SCHEMBL6776234 0.87 PLA2G2A (0.47) PARP1PLA2G2APLA2G1B
SCHEMBL6776083 0.87 PLA2G1B (0.42) CD38PARP1PLA2G2APLA2G1BMEN1
SCHEMBL6777696 0.86 PLA2G2A (0.47) PARP1PLA2G2APLA2G1B
SCHEMBL6774091 0.86 PLA2G2A (0.47) PLA2G2APLA2G1B

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