SCHEMBL14435485

SCHEMBL14435485

CC(=O)OCC(=O)Nc1c(C)c(C(=O)Cl)c(C)c(C(=O)Cl)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.42
USP2 O75604 1/20 0.42
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.35
FAAH O00519 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL14435475 0.85 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1HPGDUSP2PKM
SCHEMBL22661239 0.84 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1HPGDUSP2PKM
SCHEMBL14435477 0.81 LMNA (0.48) SMN1; SMN2ALDH1A1HPGDUSP2PKM
SCHEMBL708587 0.79 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1HPGDUSP2PKM
SCHEMBL7528241 0.79 PKM (0.43) SMN1; SMN2ALDH1A1HPGDUSP2PKM
SCHEMBL22661232 0.76 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HPGDUSP2PKM
SCHEMBL8906827 0.75 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1HPGDUSP2PKM
SCHEMBL7526266 0.74 PKM (0.39) SMN1; SMN2ALDH1A1HPGDUSP2PKM
SCHEMBL29174191 0.74 TSHR (0.48) SMN1; SMN2ALDH1A1HPGDUSP2PKM
SCHEMBL30807536 0.74 TSHR (0.48) SMN1; SMN2ALDH1A1HPGDUSP2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023117667-A1 PROCESS FOR THE PREPARATION OF 2,4,6-TRIIODOISOPHTHALIC BISAMIDES BRACCO IMAGING SPA (IT) 2023-06-29 WO disclosed
WO-2007094683-A1 CONTRAST AGENTS GE HEALTHCARE AS (NO) 2007-08-23 WO disclosed