SCHEMBL6230658

SCHEMBL6230658

CSc1nc2ncc[c]n2n1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.32
RAB9A P51151 1/20 0.31
RXFP1 Q9HBX9 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
SCHEMBL7066910 0.66 NPC1 (0.56) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL3315849 0.58 KDM4E (0.38) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL787909 0.58
SCHEMBL67391 0.54
SCHEMBL5576942 0.54 ALDH1A1 (0.44) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL15971317 0.54 KDM4E (0.37) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL7537282 0.51 HSP90AB1 (0.48) KDM4EALDH1A1MAPTSMN1; SMN2NPSR1
SCHEMBL6224929 0.51
SCHEMBL148439 0.51
SCHEMBL2611142 0.51

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-1595866-A1 COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV Sanwa Kagaku Kenkyusho Co., Ltd. (JP) 2005-11-16 EP disclosed