SCHEMBL3229293

SCHEMBL3229293

O=C(O)Cc1ccc2ccccn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.42
PTGS1 P23219 2/20 0.41
PTGS2 P35354 1/20 0.41
NSD2 O96028 1/20 0.41
POLB P06746 1/20 0.41
GRK2 P25098 1/20 0.41
CASP6 P55212 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 3/20 0.37
HTT P42858 2/20 0.37
ABCC4 O15439 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 2/20 0.37
CHEK1 O14757 1/20 0.37
LIMK1 P53667 1/20 0.37
MAPK14 Q16539 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
SCHEMBL1722529 0.87 PTGS2 (0.46) AKR1B1PTGS1PTGS2NSD2POLB
SCHEMBL13989142 0.84 MAP4K4 (0.37) POLBKDM4EALDH1A1HTTMAPT
SCHEMBL3258935 0.84 ALOX15 (0.34) PTGS1PTGS2KDM4EALDH1A1GAA
SCHEMBL25515658 0.76 KDM4E (0.38) POLBKDM4EALDH1A1GAAHTT
SCHEMBL12480176 0.74 ALDH1A1 (0.49) AKR1B1NSD2POLBGRK2CASP6
SCHEMBL27283340 0.73 CALM1 (0.42) KDM4EALDH1A1TDP1MAPTCHEK1
Acetic Acid SCHEMBL28086771 0.73 TBXAS1 (0.43) PTGS1PTGS2ALDH1A1MAPT
SCHEMBL28840463 0.72 KDM4E (0.37) POLBKDM4EALDH1A1GAAHTT
SCHEMBL7169853 0.72 ALDH1A1 (0.37) POLBKDM4EALDH1A1GAAHTT
SCHEMBL6949233 0.72 KDM4E (0.37) PTGS2POLBKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102365281-B Indolizine derivative and medical application thereof KISSEI PHARMACEUTICAL 2014-11-12 CN disclosed
CN-104136431-A PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO 2014-11-05 CN disclosed
WO-2010009403-A2 METHODS FOR TREATING ARTHRITIS AND OTHER INFLAMMATORY OR AUTOIMMUNE DISEASES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2010-01-21 WO disclosed
US-6645976-B1 Nonpancreatic secretory phospholipase (sPLA2) supressors such as 2-(3-Benzyl-8-hydroxy-2-ethylindolizin-1-yl)acetamide, administered to control release of fatty acid and prevent the arachidonic acid cascade; septic shock ELI LILLY AND COMPANY 2003-11-11 US disclosed
EP-0772596-B1 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 2003-10-01 EP disclosed
EP-0772596-A4 INDOLIZINE sPLA2 INHIBITORS LILLY CO ELI (US) 1999-01-13 EP disclosed
CN-1158121-A Indolizine sPLA2Inhibitors LILLY CO ELI (US) 1997-08-27 CN disclosed
EP-0772596-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-14 EP disclosed
WO-1996003383-A1 INDOLIZINE sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO disclosed