SCHEMBL28611322

SCHEMBL28611322

CCC(Cc1ccc([N+](=O)[O-])cc1)OC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AKR1C3 P42330 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.42
CYP2C19 P33261 2/20 0.42
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAOB P27338 1/20 0.42
ALDH1A1 P00352 3/20 0.41
IDO1 P14902 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL28756030 0.90 MEN1 (0.46) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL16367415 0.88 MAOB (0.45) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL31376603 0.80 ALDH1A1 (0.52) MEN1KMT2ABCL9CTNNB1MAOB
SCHEMBL1837096 0.79 CTSK (0.57) NPC1RAB9ATSHRCYP1A2
SCHEMBL10959985 0.79 AKR1C3 (0.46) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL28524238 0.79 AKR1C3 (0.46) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL5660737 0.77 MEN1 (0.45) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL23111943 0.77 KMT2A (0.50) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL29602251 0.77 KMT2A (0.50) MEN1KMT2ANPC1TP53RAB9A
SCHEMBL1627903 0.77 KMT2A (0.50) MEN1KMT2ANPC1TP53RAB9A

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
CN-113226377-A Antibody drug conjugates comprising an eltrinastine derivative 法马马有限公司 2021-08-06 CN disclosed