SCHEMBL24011663

SCHEMBL24011663

CC(=O)c1cccc(N(C)I)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
ALDH1A1 P00352 5/20 0.44
TSHR P16473 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
MCL1 Q07820 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL334924 0.84 KDM4E (0.56) HTTALDH1A1TSHRMAPTKDM4E
SCHEMBL12355614 0.82 GAA (0.49) HTTALDH1A1TSHRMAPTHPGD
SCHEMBL2894413 0.81 HTT (0.46) HTTALDH1A1TSHRMAPTKDM4E
SCHEMBL3687994 0.79 ALDH1A1 (0.43) HTTALDH1A1TSHRMAPTKDM4E
SCHEMBL5821566 0.78 HTT (0.44) HTTALDH1A1TSHRMAPTKDM4E
SCHEMBL1883657 0.77 KMT2A (0.55) HTTALDH1A1TSHRMAPTKDM4E
SCHEMBL279656 0.76 ALDH1A1 (0.59) HTTALDH1A1KMT2AMEN1TDP1
SCHEMBL11739758 0.76 MAPT (0.63) HTTALDH1A1TSHRMAPTKDM4E
SCHEMBL20418880 0.76 KMT2A (0.44) HTTALDH1A1TSHRMAPTKDM4E
SCHEMBL6458620 0.76 ALDH1A1 (0.43) HTTALDH1A1TSHRMAPTKDM4E

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
WO-2021226276-A2 NAMPT MODULATORS CYTOKINETICS, INC. (US) 2021-11-11 WO disclosed