SCHEMBL6775552

SCHEMBL6775552

CCc1cc(O)c2c3c(C(N)=O)cccc3n(Cc3ccccc3C#N)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
ALDH1A1 P00352 6/20 0.42
GALR3 O60755 1/20 0.42
RAB9A P51151 1/20 0.42
NOX4 Q9NPH5 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TP53 P04637 2/20 0.37
FEN1 P39748 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
DPP4 P27487 1/20 0.36
TNKS O95271 1/20 0.36

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
SCHEMBL6887101 0.90 NOX4 (0.42) TSHRALDH1A1GALR3RAB9ANOX4
SCHEMBL6776313 0.90 TSHR (0.40) TSHRALDH1A1GALR3RAB9ANOX4
SCHEMBL6770430 0.88 ALDH1A1 (0.43) TSHRALDH1A1GALR3RAB9ANOX4
SCHEMBL6688460 0.87 ALDH1A1 (0.46) TSHRALDH1A1GALR3RAB9ANOX4
SCHEMBL6773039 0.86 NOX4 (0.43) TSHRALDH1A1GALR3RAB9ANOX4
SCHEMBL6780594 0.86 MEN1 (0.43) TSHRALDH1A1SMN1; SMN2MAPTNPSR1
SCHEMBL6781858 0.86 TSHR (0.45) TSHRALDH1A1GALR3RAB9ANOX4
SCHEMBL6771810 0.85 ALDH1A1 (0.42) TSHRALDH1A1MAPTGAALMNA
SCHEMBL6773681 0.85 ALDH1A1 (0.42) TSHRALDH1A1RAB9AHSD17B10LMNA
SCHEMBL6776238 0.85 CD38 (0.38) ALDH1A1RAB9ASMN1; SMN2MAPTTP53

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