SCHEMBL6948327

SCHEMBL6948327

CC1CC(=O)c2c(C(=O)Nc3cccnc3)coc2C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.54
NAMPT P43490 9/20 0.50
ALDH1A1 P00352 3/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP11B2 P19099 3/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
CYP11B1 P15538 1/20 0.44
HIF1A Q16665 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL6947210 0.86 NTRK3 (0.47) NAMPTHTTKDM4EKMT2ALMNA
SCHEMBL6942893 0.82 NAMPT (0.40) HSD17B10NAMPTALDH1A1HTTKDM4E
SCHEMBL6770247 0.79 ALDH1A1 (0.46) HSD17B10NAMPTALDH1A1HTTKDM4E
SCHEMBL15867692 0.67 LMNA (0.51) HSD17B10NAMPTALDH1A1HTTMEN1
SCHEMBL1003875 0.65 ALDH1A1 (0.51) HSD17B10NAMPTALDH1A1HTTKDM4E
SCHEMBL6770578 0.65 BUB1 (0.50) HSD17B10NAMPTALDH1A1HTTKDM4E
SCHEMBL8038852 0.65 ALDH1A1 (0.48) HSD17B10NAMPTALDH1A1HTTKDM4E
SCHEMBL7386449 0.65 ALDH1A1 (0.48) HSD17B10NAMPTALDH1A1HTTKDM4E
SCHEMBL13966172 0.65 CYP11B2 (0.64) NAMPTALDH1A1HTTKDM4EMEN1
SCHEMBL13162689 0.65 ALDH1A1 (0.70) HSD17B10NAMPTALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030838-B1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PROD INC (US) 2003-01-22 EP claimed
US-6262272-B1 REACTING FURAN CARBOXYLIC ACID DERIVATIVE WITH ACID CHLORIDE OR ACID ANHYDRIDE IN INERT SOLVENT CONTAINING ACID RECEPTOR; ADDING AROMATIC AMINE COMPOUND TO FORM PYRROLE CARBOXAMIDE COMPOUND PFIZER INC 2001-07-17 US claimed
EP-1030838-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES Pfizer Products Inc. (US) 2000-08-30 EP claimed
WO-1999025684-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PRODUCTS INC. (US) 1999-05-27 WO claimed
EP-1030838-B1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PROD INC (US) 2003-01-22 EP disclosed
US-6262272-B1 REACTING FURAN CARBOXYLIC ACID DERIVATIVE WITH ACID CHLORIDE OR ACID ANHYDRIDE IN INERT SOLVENT CONTAINING ACID RECEPTOR; ADDING AROMATIC AMINE COMPOUND TO FORM PYRROLE CARBOXAMIDE COMPOUND PFIZER INC 2001-07-17 US disclosed
EP-1030838-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES Pfizer Products Inc. (US) 2000-08-30 EP disclosed
WO-1999025684-A1 METHOD OF SYNTHESIS OF PYRROLE AMIDES PFIZER PRODUCTS INC. (US) 1999-05-27 WO disclosed