SCHEMBL7962079

SCHEMBL7962079

COC(=O)Cc1c(Cl)[nH]c2ccc(OC)cc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.66
AKR1C2 P52895 1/20 0.56
MTNR1A P48039 8/20 0.51
MTNR1B P49286 8/20 0.51
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 5/20 0.50
KDM4E B2RXH2 4/20 0.50
HPGD P15428 3/20 0.50
TSHR P16473 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
POLB P06746 1/20 0.49
MDM2 Q00987 1/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
GFER P55789 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL10613665 0.86 SIRT1 (0.52) NQO2ALDH1A1KDM4EPOLBMAPT
SCHEMBL30604527 0.85 AKR1C2 (0.78) NQO2AKR1C2MTNR1AMTNR1BALDH1A1
SCHEMBL6825151 0.85 AKR1C2 (0.78) NQO2AKR1C2MTNR1AMTNR1BALDH1A1
SCHEMBL8301359 0.83 NQO2 (0.54) NQO2AKR1C2MTNR1AMTNR1BALDH1A1
SCHEMBL7964163 0.83 HTR6 (0.60) NQO2AKR1C2MTNR1AMTNR1BALDH1A1
SCHEMBL6703468 0.83 KDM4E (0.69) AKR1C2ALDH1A1HSD17B10KDM4EHPGD
SCHEMBL27540490 0.81 PTGS2 (0.57) NQO2AKR1C2MTNR1AMTNR1BALDH1A1
SCHEMBL7952945 0.81 HTR6 (0.62) NQO2AKR1C2MTNR1AMTNR1BALDH1A1
SCHEMBL1774151 0.80 NQO2 (1.00) NQO2MTNR1AMTNR1BALDH1A1HSD17B10
SCHEMBL7953435 0.80 MTNR1A (0.62) NQO2AKR1C2MTNR1AMTNR1BALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6252084-B1 THERAPY FOR SEPSIS SHOCK ELI LILLY AND COMPANY 2001-06-26 US disclosed
EP-0620215-B1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors LILLY CO ELI (US) 1999-08-18 EP disclosed
US-5684034-A INHIBITORS OF HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2, TREATMENT OF SEPTIC SHOCK, TRAUMA, RESPIRATORY DISORDERS, RHEUMATIC ARTHRITIS, INHIBITORS OF ARACHIDONIC ACID RELEASE ELI LILLY AND COMPANY (US) 1997-11-04 US disclosed
EP-0620215-A1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed