SCHEMBL9315306

SCHEMBL9315306

CCN(CC)c1ccc(C=CC=[N+]([O-])c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
MEN1 O00255 6/20 0.49
MAPT P10636 6/20 0.49
KMT2A Q03164 6/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 4/20 0.46
POLB P06746 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
USP2 O75604 1/20 0.46
RECQL P46063 1/20 0.46
TLR9 Q9NR96 1/20 0.46
HPGD P15428 3/20 0.45
THRB P10828 2/20 0.45
PKM P14618 2/20 0.45
MDM2 Q00987 2/20 0.45
GAA P10253 2/20 0.45
TNNI3 P19429 1/20 0.45
TNNT2 P45379 1/20 0.45
TNNC1 P63316 1/20 0.45

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
SCHEMBL31538762 0.86 NPC1 (0.48) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL9315237 0.85 ALDH1A1 (0.51) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL7972788 0.84 NPC1 (0.64) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL9315492 0.83 TSHR (0.46) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL9321637 0.79 XDH (0.57) ALDH1A1MEN1MAPTKMT2ATDP1
SCHEMBL31538760 0.77 ALDH1A1 (0.45) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL9316417 0.77 ALDH1A1 (0.45) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL13534537 0.75 MAPT (0.47) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL3393234 0.75 MAPT (0.47) ALDH1A1MEN1MAPTKMT2ALMNA
SCHEMBL64440 0.75 MEN1 (0.56) ALDH1A1MEN1MAPTKMT2AMAPK1

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
CN-119882346-A Water-soluble composition 奇美实业股份有限公司 2025-04-25 CN disclosed
US-5310620-A Alkali-soluble nitrone compounds and contrast enhanced material comprising the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 1994-05-10 US disclosed