SCHEMBL25914487

SCHEMBL25914487

CC(=O)Nc1ccc(C)c(I)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
GLA P06280 1/20 0.49
TNNI3 P19429 1/20 0.49
TNNT2 P45379 1/20 0.49
RAB9A P51151 1/20 0.49
TNNC1 P63316 1/20 0.49
RUNX1 Q01196 1/20 0.49
CBFB Q13951 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48

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
SCHEMBL13110612 0.85 ALDH1A1 (0.57) TDP1ALDH1A1HSD17B10SMN1; SMN2HTT
SCHEMBL27438068 0.84 SMN1; SMN2 (0.54) TDP1ALDH1A1HSD17B10SMN1; SMN2HTT
SCHEMBL5514158 0.83 POLB (0.70) ALDH1A1HSD17B10KMT2AMEN1MAPT
SCHEMBL11798087 0.82 ALDH1A1 (0.56) TDP1ALDH1A1HSD17B10SMN1; SMN2HTT
SCHEMBL2336203 0.82 POLB (0.68) TDP1ALDH1A1HSD17B10SMN1; SMN2HTT
SCHEMBL29990241 0.82 POLB (0.68) TDP1ALDH1A1HSD17B10SMN1; SMN2HTT
SCHEMBL22374212 0.81 PKM (0.54) TDP1ALDH1A1HSD17B10SMN1; SMN2HTT
SCHEMBL5779177 0.79 ALDH1A1 (0.53) TDP1ALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL28477202 0.79 SMN1; SMN2 (0.48) TDP1ALDH1A1HSD17B10SMN1; SMN2HTT
SCHEMBL30561861 0.79 ALDH1A1 (0.53) TDP1ALDH1A1SMN1; SMN2HTTL3MBTL1

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-2023144736-A1 COMPOSITIONS FOR PREVENTING OR TREATING PULMONARY ARTERIAL HYPERTENSION CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-03 WO disclosed
WO-2023144737-A1 COMPOSITIONS FOR PREVENTING OR TREATING HEART FAILURE (HF) CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2023-08-03 WO disclosed