SCHEMBL5749007

SCHEMBL5749007

NC(=O)c1[c]nc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.49
ALDH1A1 P00352 7/20 0.39
MAPT P10636 4/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
ACHE P22303 1/20 0.39
MGAM O43451 2/20 0.39
KDM4E B2RXH2 4/20 0.36
GAA P10253 4/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GRM2 Q14416 2/20 0.35
POLB P06746 1/20 0.35
HTR3A P46098 1/20 0.34
STAT3 P40763 1/20 0.34
LCK P06239 1/20 0.34

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
SCHEMBL9022523 0.84 MGAM (0.47) IKBKBALDH1A1MAPTHPGDGLA
SCHEMBL92710 0.79 ELANE (0.43) IKBKBALDH1A1MAPTHPGDGLA
SCHEMBL4923644 0.78 ALOX15 (0.44) ALDH1A1HPGDKDM4ESMN1; SMN2MEN1
SCHEMBL4915820 0.74 CYP1A2 (0.45) ALDH1A1MAPTHPGDGLAKDM4E
SCHEMBL269884 0.71 ALDH1A1 (0.46) IKBKBALDH1A1MAPTHPGDGLA
SCHEMBL641339 0.71 ALDH1A1 (0.47) IKBKBALDH1A1MAPTHPGDGLA
SCHEMBL11620950 0.70 MAPT (0.41) IKBKBALDH1A1MAPTHPGDKDM4E
SCHEMBL5748265 0.69 KDM4E (0.44) IKBKBALDH1A1MAPTHPGDKDM4E
Acridine SCHEMBL4854060 0.69 ALDH1A1 (0.68) IKBKBALDH1A1MAPTHPGDGLA
Acridine SCHEMBL28228757 0.69 ALDH1A1 (0.68) IKBKBALDH1A1MAPTHPGDGLA

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