SCHEMBL30485017

SCHEMBL30485017

CCCCOC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.56
LMNA P02545 4/20 0.55
MAPT P10636 4/20 0.55
MAPK1 P28482 4/20 0.55
KMT2A Q03164 1/20 0.55
APP P05067 1/20 0.51
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KCNMA1 Q12791 2/20 0.49
NPC1 O15118 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C9 P11712 2/20 0.49
RAB9A P51151 2/20 0.49
TRPV1 Q8NER1 1/20 0.49
RECQL P46063 1/20 0.48
HPGD P15428 1/20 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
SCHEMBL16654381 0.85 SMN1; SMN2 (0.56) PKMSMN1; SMN2LMNAMAPTMAPK1
SCHEMBL21059235 0.82 KMT2A (0.61) SMN1; SMN2LMNAMAPTMAPK1KMT2A
SCHEMBL21059249 0.79 KMT2A (0.60) SMN1; SMN2LMNAMAPTMAPK1KMT2A
SCHEMBL6179106 0.78 SMN1; SMN2 (0.88) SMN1; SMN2LMNAMAPTMAPK1KMT2A
SCHEMBL9365284 0.78 PKM (0.59) PKMSMN1; SMN2LMNAMAPTMAPK1
SCHEMBL21059226 0.78 KMT2A (0.58) SMN1; SMN2LMNAMAPTMAPK1KMT2A
SCHEMBL5001003 0.78 SMN1; SMN2 (0.61) PKMSMN1; SMN2LMNAMAPTMAPK1
SCHEMBL31663746 0.77 APP (0.55) PKMSMN1; SMN2MAPTMAPK1KMT2A
SCHEMBL550964 0.77 APP (0.55) PKMSMN1; SMN2MAPTMAPK1KMT2A
SCHEMBL9365281 0.77 APP (0.58) PKMSMN1; SMN2LMNAMAPTMAPK1

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-4419207-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER Artios Pharma Limited (GB) 2024-08-28 EP disclosed
WO-2023067354-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-04-27 WO disclosed