SCHEMBL13925852

SCHEMBL13925852

CNCCCCNC(=O)c1cn(C)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.48
KCNA3 P22001 1/20 0.47
KDM4E B2RXH2 1/20 0.40
TGM2 P21980 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
SMYD3 Q9H7B4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL27284572 0.82 KCNA3 (0.46) GRM2KCNA3KDM4ETGM2ALDH1A1
SCHEMBL3266560 0.79 GRM2 (0.42) GRM2KCNA3SMYD3
SCHEMBL24253400 0.78 KCNA3 (0.41) GRM2KCNA3TSHRSMYD3ACKR3
SCHEMBL1662858 0.77 BAZ2B (0.46) GRM2KCNA3SMYD3ACKR3
SCHEMBL20001503 0.75 QPCT (0.41) GRM2KCNA3SMYD3
SCHEMBL12911102 0.75 P2RX7 (0.42) GRM2KCNA3KDM4ETSHRSMYD3
SCHEMBL22231667 0.75 KCNA3 (0.39) GRM2KCNA3SMYD3ACKR3
SCHEMBL17511038 0.73 HIF1A (0.65) SMN1; SMN2ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL19440870 0.72 KCNA3 (0.47) GRM2KCNA3SMN1; SMN2HDAC3HDAC4
SCHEMBL17518681 0.72 GSK3B (0.42) GRM2KCNA3SMYD3ACKR3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7491818-B2 Nucleic acid labeling compounds AFFYMETRIX, INC. (US) 2009-02-17 US disclosed
US-7423143-B2 Nucleic acid labeling compounds AFFYMETRIX. INC. (US) 2008-09-09 US disclosed
US-7291463-B2 Incubating/condensating pseudoisocytidine molecule with (1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride to provide a pseudouridine molecule; oncology diagnosis AFFYMETRIX, INC. (US) 2007-11-06 US disclosed
US-7179905-B2 Nucleic acid labeling compounds AFFYMETRIX, INC. (US) 2007-02-20 US disclosed