SCHEMBL5750421

SCHEMBL5750421

NC(=O)c1c2ccccc2cc2ccc(N)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
HSD17B10 Q99714 3/20 0.52
KDM4E B2RXH2 3/20 0.52
HPGD P15428 3/20 0.52
CYP1A2 P05177 1/20 0.52
GLA P06280 1/20 0.52
CYP2C19 P33261 1/20 0.52
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
HBB P68871 1/20 0.47
HIF1A Q16665 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
GAA P10253 1/20 0.46
HTR3A P46098 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
PLAU P00749 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
SCHEMBL5748916 0.90 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1HSD17B10KDM4E
SCHEMBL5749296 0.87 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL27651681 0.85 ALDH1A1 (0.63) ALDH1A1KMT2AMEN1HSD17B10KDM4E
SCHEMBL30450396 0.82 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1HSD17B10KDM4E
SCHEMBL28447573 0.79 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1HSD17B10KDM4E
SCHEMBL25337557 0.79 KDM4E (0.55) ALDH1A1KMT2AMEN1HSD17B10KDM4E
SCHEMBL29588158 0.79 KDM4E (0.55) ALDH1A1KMT2AMEN1HSD17B10KDM4E
SCHEMBL5747848 0.77 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1HSD17B10KDM4E
SCHEMBL28375106 0.76 CYP3A4 (0.47) ALDH1A1KMT2AMEN1HSD17B10KDM4E
SCHEMBL5748553 0.76 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1HSD17B10KDM4E

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