SCHEMBL5821208

SCHEMBL5821208

CC1CN(CCCn2nnc3ccccc3c2=O)CC[N]1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL5824200 0.76 KMT2A (0.54) ALDH1A1KMT2AMEN1RAB9ANPSR1
Hydrochloric Acid SCHEMBL5821173 0.75 KMT2A (0.53) ALDH1A1KMT2AMEN1RAB9ANPSR1
SCHEMBL29201430 0.74 ALDH1A1 (0.82) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL5815944 0.74 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL5821441 0.73 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10919578 0.71 KMT2A (0.82) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL5816179 0.71 KMT2A (0.68) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL17950740 0.71 MEN1 (0.68) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL4872274 0.71 KMT2A (0.68) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL5815713 0.70 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1

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-2006117760-A1 ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO disclosed