SCHEMBL9725552

SCHEMBL9725552

CN(C)CCNc1cc(Oc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SIRT5 Q9NXA8 2/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAPK1 P28482 2/20 0.45
ALPG P10696 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 2/20 0.44
HTR6 P50406 2/20 0.43
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
LTA4H P09960 1/20 0.43
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
AKR1C4 P17516 1/20 0.42

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
SCHEMBL5345296 0.89 ALDH1A1 (0.51) ALDH1A1NPSR1MAPTSMN1; SMN2SIRT5
SCHEMBL9725384 0.85 ALDH1A1 (0.56) ALDH1A1NPSR1MAPTSMN1; SMN2NPC1
SCHEMBL6400130 0.83 MAPT (0.50) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL12210038 0.82 MAPT (0.53) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL11074643 0.80 MAPT (0.53) ALDH1A1NPSR1MAPTSMN1; SMN2NPC1
SCHEMBL6713153 0.80 NPSR1 (0.52) ALDH1A1NPSR1MAPTSMN1; SMN2NPC1
SCHEMBL22478744 0.79 ALDH1A1 (0.50) ALDH1A1NPSR1MAPTSMN1; SMN2NPC1
SCHEMBL29504306 0.79 ALDH1A1 (0.65) ALDH1A1NPSR1MAPTSMN1; SMN2NPC1
SCHEMBL972656 0.79 ALDH1A1 (0.65) ALDH1A1NPSR1MAPTSMN1; SMN2NPC1
SCHEMBL1728642 0.78 ALDH1A1 (0.50) ALDH1A1NPSR1MAPTSMN1; SMN2NPC1

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
US-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed
EP-0454330-A1 Benzimidazolinone derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-10-30 EP disclosed