SCHEMBL4561840

SCHEMBL4561840

CN(C)c1cccc(C(=O)NCCCN)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.65
KMT2A Q03164 3/20 0.65
TMEM97 Q5BJF2 1/20 0.64
SIGMAR1 Q99720 1/20 0.64
HDAC3 O15379 1/20 0.63
HDAC1 Q13547 1/20 0.63
NAMPT P43490 1/20 0.61
KDM4E B2RXH2 6/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
LMNA P02545 2/20 0.55
HSD17B10 Q99714 3/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
GFER P55789 1/20 0.52
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
FYN P06241 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL27970107 0.91 POLB (0.61) POLBKMT2ATMEM97SIGMAR1HDAC3
SCHEMBL9489576 0.90 NAMPT (0.73) POLBKMT2ATMEM97SIGMAR1HDAC3
SCHEMBL16151772 0.85 SMN1; SMN2 (0.69) KMT2AHDAC3HDAC1KDM4ESMN1; SMN2
SCHEMBL13753747 0.84 L3MBTL1 (0.65) POLBKMT2ATMEM97SIGMAR1HDAC3
Hydrochloric Acid SCHEMBL16428996 0.83 SMN1; SMN2 (0.67) KMT2AHDAC3HDAC1KDM4ESMN1; SMN2
SCHEMBL16127281 0.82 HDAC1 (0.68) KMT2AHDAC3HDAC1NAMPTKDM4E
SCHEMBL17027795 0.81 POLB (0.63) POLBKMT2ATMEM97SIGMAR1HDAC3
SCHEMBL18078704 0.81 SMN1; SMN2 (0.73) POLBKMT2AHDAC3KDM4ESMN1; SMN2
SCHEMBL12563712 0.81 NPC1 (0.62) POLBKMT2AHDAC3HDAC1KDM4E
SCHEMBL13702275 0.80 KDM4E (0.62) POLBKMT2ATMEM97SIGMAR1NAMPT

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-2009148659-A2 ANTIMALARIAL QUINOLINES AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2009-12-10 WO disclosed