SCHEMBL5824200

SCHEMBL5824200

CC(=O)NC1C2CN(CCCn3nnc4ccccc4c3=O)CC21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47

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
Hydrochloric Acid SCHEMBL5821173 0.99 KMT2A (0.53) KMT2AMEN1ALDH1A1RAB9ANPSR1
SCHEMBL5815641 0.82 RAB9A (0.47) KMT2AMEN1ALDH1A1RAB9ARXFP1
SCHEMBL5821208 0.76 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1RAB9ANPSR1
SCHEMBL13784021 0.73 KMT2A (0.70) KMT2AMEN1ALDH1A1RAB9ANPSR1
SCHEMBL10919578 0.72 KMT2A (0.82) KMT2AMEN1ALDH1A1RAB9AKDM4E
SCHEMBL29201430 0.72 ALDH1A1 (0.82) KMT2AMEN1ALDH1A1RAB9AHTT
SCHEMBL874199 0.71 KDM4E (0.70) KMT2AMEN1ALDH1A1RAB9ANPSR1
SCHEMBL764382 0.71 KMT2A (0.62) KMT2AMEN1ALDH1A1RAB9ANPSR1
Hydrochloric Acid SCHEMBL5818499 0.71 KMT2A (0.46) KMT2AMEN1ALDH1A1RAB9ANPSR1
SCHEMBL764359 0.70 KMT2A (0.54) KMT2AMEN1ALDH1A1RAB9ANPSR1

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