SCHEMBL6555790

SCHEMBL6555790

CCOc1cccc(OCc2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c1OC(=O)CC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
BLM P54132 1/20 0.52
PDE10A Q9Y233 2/20 0.50
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
HTR7 P34969 4/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HIF1A Q16665 2/20 0.46
USP2 O75604 1/20 0.45
RAB9A P51151 1/20 0.45
ACHE P22303 1/20 0.44

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
SCHEMBL6557887 0.94 HTR7 (0.51) MEN1KMT2ASMN1; SMN2BLMPDE10A
SCHEMBL6557412 0.91 PDE10A (0.57) MEN1KMT2APDE10AHTR7CYP1A2
SCHEMBL6557990 0.86 ACHE (0.45) PDE10AHSD17B10HTR7ACHE
SCHEMBL6555842 0.85 TSHR (0.52) SMN1; SMN2HSD17B10LMNAHTR7ALDH1A1
SCHEMBL6555584 0.81 PDE4A (0.50) MEN1KMT2ASMN1; SMN2HSD17B10LMNA
SCHEMBL6557586 0.79 KDM4E (0.52) SMN1; SMN2PDE10AHSD17B10ALDH1A1HIF1A
SCHEMBL6557988 0.78 L3MBTL1 (0.51) KMT2ASMN1; SMN2HSD17B10ALDH1A1USP2
SCHEMBL6556016 0.78 L3MBTL1 (0.51) SMN1; SMN2PDE10AHSD17B10ALDH1A1USP2
SCHEMBL6557322 0.77 KDM4E (0.52) KMT2ASMN1; SMN2PDE10AHSD17B10ALDH1A1
SCHEMBL6555851 0.77 MAPT (0.47) LMNAMAPK1HTR7CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1073643-B1 NEW HETEROCYCLIC COMPOUNDS AND THEIR USE IN MEDICINE, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM REDDYS LAB LTD DR (IN) 2004-12-29 EP claimed