SCHEMBL6640299

SCHEMBL6640299

CC(CCN)c1nc2cccnc2c2c1ncn2CCCCNC(=O)CSc1ccncc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.37
LMNA P02545 5/20 0.35
ALDH1A1 P00352 4/20 0.35
PKM P14618 1/20 0.35
HTT P42858 2/20 0.34
KDM4E B2RXH2 2/20 0.34
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALOX15 P16050 1/20 0.33
RXFP1 Q9HBX9 2/20 0.32
POLB P06746 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL8150493 0.83 TLR8 (0.37) HTTRXFP1HDAC3HDAC4HDAC1
SCHEMBL6642504 0.82 HDAC4 (0.35) ALDH1A1HTTKDM4EKMT2AALOX15
SCHEMBL20865570 0.81 DPP7 (0.32) KDM4EKMT2AHSD17B10PSMB5MEN1
SCHEMBL6441603 0.80 HSP90AA1 (0.36) SHMT2LMNAALDH1A1KDM4EPOLB
SCHEMBL18546822 0.79 EPHX1 (0.38) ALDH1A1KMT2AMAPTMEN1
SCHEMBL22006150 0.77 PSMB5 (0.38) SHMT2LMNAALDH1A1HTTHSD17B10
SCHEMBL7095098 0.75 LARS1 (0.32) LMNAALDH1A1HTTKDM4ENPSR1
SCHEMBL18166867 0.74 TLR7 (0.35) LMNAALDH1A1KDM4EKMT2APOLB
SCHEMBL7092075 0.73 PSMB5 (0.32) LMNAALDH1A1HTTKDM4ENPSR1
SCHEMBL6924182 0.72 MAOB (0.34) LMNAALDH1A1PKMHTTKDM4E

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-1040112-B1 IMIDAZONAPHTHYRIDINES AND THEIR USE IN INDUCING CYTOKINE BIOSYNTHESIS MINNESOTA MINING & MFG (US) 2004-09-22 EP disclosed