SCHEMBL5772841

SCHEMBL5772841

Cc1cc2ccc3cccc4ccc(c1Nc1ccccn1)c2c34

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
KLF5 Q13887 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ERBB2 P04626 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL5777479 0.83 KMT2A (0.40) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL5771888 0.82 MAPK10 (0.44) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL5778071 0.82 TSHR (0.41) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL5771541 0.82 KMT2A (0.44) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL5774898 0.81 KMT2A (0.46) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL5751401 0.79 KDM4E (0.39) TSHRTDP1L3MBTL1ALDH1A1HPGD
SCHEMBL5770706 0.78 KMT2A (0.46) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL5749052 0.77 KMT2A (0.55) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL5776931 0.77 APAF1 (0.46) TSHRTDP1L3MBTL1ALDH1A1HPGD
SCHEMBL5748045 0.76 KMT2A (0.49) TSHRTDP1L3MBTL1ALDH1A1HPGD

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
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed