SCHEMBL22417656

SCHEMBL22417656

CCCCC(=O)N1CCC2(CC1)CC(c1cccs1)=NO2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.37
MAP1LC3B Q9GZQ8 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL15837682 0.87 RAB9A (0.39) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL17300415 0.85 NPC1 (0.37) RAB9AMEN1KMT2AALDH1A1KDM4E
SCHEMBL15837555 0.84 NPC1 (0.44) RAB9AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL22417579 0.73 DRD2 (0.40) RAB9AALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL15838002 0.72 ALDH1A1 (0.48) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL22417691 0.72 ITGB1 (0.33) RAB9AALDH1A1KDM4ENPC1LMNA
SCHEMBL2401291 0.71 L3MBTL1 (0.47) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL17300434 0.70 NPC1 (0.40) KMT2ANPC1
SCHEMBL15837601 0.69 NPC1 (0.46) KMT2ANPC1
SCHEMBL15837562 0.69 POLB (0.42) MEN1KMT2A

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
EP-2935281-B1 SPIROISOXAZOLINE COMPOUNDS HAVING AN ACTIVITY POTENTIATING THE ACTIVITY OF AN ANTIBIOTIC UNIVERSITÉ DE DROIT ET DE LA SANTÉ DE LILLE 2 (FR) 2020-09-09 EP disclosed