SCHEMBL31171007

SCHEMBL31171007

CC(=O)Nc1ccc([N+](=O)[O-])cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 2/20 0.62
CXCR2 P25025 2/20 0.62
KCNMA1 Q12791 1/20 0.62
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
TDP1 Q9NUW8 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
MAPT P10636 4/20 0.59
RAB9A P51151 2/20 0.59
POLB P06746 2/20 0.59
NPC1 O15118 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.55
CYP19A1 P11511 1/20 0.54
HTT P42858 2/20 0.54
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
RECQL P46063 1/20 0.53
ATM Q13315 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GAA P10253 1/20 0.52

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
SCHEMBL2131627 1.00 CXCR1 (0.62) CXCR1CXCR2KCNMA1KMT2AMEN1
SCHEMBL915213 0.87 MEN1 (0.64) CXCR1CXCR2KCNMA1KMT2AMEN1
SCHEMBL5595104 0.86 CXCR1 (0.80) CXCR1CXCR2KCNMA1KMT2AMEN1
SCHEMBL11637319 0.85 SMN1; SMN2 (0.57) KMT2AMEN1MAPTSMN1; SMN2CYP19A1
SCHEMBL17085327 0.84 HTT (0.71) CXCR1CXCR2KCNMA1KMT2AMEN1
SCHEMBL1285405 0.83 HTT (0.74) KMT2AMEN1TDP1MAPTRAB9A
SCHEMBL5987164 0.83 CXCR1 (0.67) CXCR1CXCR2KCNMA1KMT2AMEN1
SCHEMBL29968760 0.83 CXCR1 (0.67) CXCR1CXCR2KCNMA1KMT2AMEN1
SCHEMBL4835079 0.83 MAPT (0.66) KMT2AMEN1TDP1MAPTPOLB
SCHEMBL30168131 0.83 HTT (0.74) KMT2AMEN1TDP1MAPTRAB9A

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
EP-4709425-A1 LINKER COMPOUNDS AND LIGAND-DRUG CONJUGATES, PREPARATION METHODS AND USES THEREOF Biocytogen Pharmaceuticals (Beijing) Co., Ltd. (CN) 2026-03-18 EP disclosed
WO-2024235105-A1 LINKER COMPOUNDS AND LIGAND-DRUG CONJUGATES, PREPARATION METHODS AND USES THEREOF BIOCYTOGEN PHARMACEUTICALS (BEIJING) CO., LTD. (CN) 2024-11-21 WO disclosed