SCHEMBL31661119

SCHEMBL31661119

NCCCC[C@H](N)C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.48
▸ CES2 O00748 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ GRM8 O00222 1/20 0.43
▸ GRM4 Q14833 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 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
SCHEMBL29455601 0.85 CES2 (0.50) CES2MAPTPOLBGRM8GRM4
SCHEMBL6505703 0.82 MMP2 (0.47) MMP2MAPTGRM8GRM4KMT2A
SCHEMBL8963083 0.81 CES2 (0.49) CES2MAPTPOLBGRM8GRM4
2,4-Dinitrophenol SCHEMBL7081417 0.80 ALDH1A1 (0.56) MMP2GRM8GRM4SMN1; SMN2ALDH1A1
SCHEMBL28783979 0.80 MMP2 (0.44) MMP2GRM8GRM4KMT2ATDP1
SCHEMBL8574344 0.80 MMP2 (0.56) MMP2CES2GRM8GRM4TDP1
SCHEMBL712246 0.79 MMP2 (0.46) MMP2MAPTGRM8GRM4KMT2A
SCHEMBL16097443 0.77 MMP2 (0.43) MMP2MAPTPOLBGRM8GRM4
SCHEMBL16110126 0.76 GRM8 (0.46) MMP2MAPTPOLBGRM8GRM4
SCHEMBL17875187 0.76 GRM8 (0.44) MMP2GRM8GRM4KMT2ATDP1

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-2025151826-A1 DETERMINATION OF PROTEIN INFORMATION BY RECODING AMINO ACID POLYMERS INTO DNA POLYMERS WITH METADATA TAGGING ABRUS BIO, INC. (US) 2025-07-17 — — WO disclosed
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