SCHEMBL5698591

SCHEMBL5698591

Nc1nc(O)c2[nH]c(SCC(=O)Nc3nc(-c4ccccc4)cs3)nc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.60
KMT2A Q03164 10/20 0.60
MAPT P10636 9/20 0.60
GAA P10253 3/20 0.60
LMNA P02545 5/20 0.59
NPSR1 Q6W5P4 1/20 0.59
POLB P06746 3/20 0.57
SMN1; SMN2 Q16637 5/20 0.54
MAPK1 P28482 4/20 0.54
TDP1 Q9NUW8 3/20 0.54
DNMT1 P26358 1/20 0.54
USP2 O75604 3/20 0.52
TSHR P16473 2/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
GLA P06280 1/20 0.52
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.51
KDM4C Q9H3R0 1/20 0.51

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
SCHEMBL837694 0.71 GAA (0.68) MEN1KMT2AMAPTGAALMNA
SCHEMBL3253804 0.70 ROCK1 (0.68) MEN1KMT2AMAPTGAALMNA
SCHEMBL21224224 0.70 ELOVL1 (0.72) MEN1KMT2AMAPTGAALMNA
SCHEMBL15630753 0.70 KMT2A (0.63) MEN1KMT2AMAPTGAALMNA
Hydrochloric Acid SCHEMBL21225294 0.69 ELOVL1 (0.71) MEN1KMT2AMAPTGAALMNA
SCHEMBL225327 0.69 ELOVL1 (0.74) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL14102516 0.68 GAA (0.83) MEN1KMT2AMAPTGAALMNA
SCHEMBL18020580 0.68 MEN1 (0.56) MEN1KMT2AMAPTGAALMNA
SCHEMBL8402291 0.68 MAPT (0.73) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL1357607 0.68 ELOVL1 (0.72) MEN1KMT2AMAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682143-A2 COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA Pharmacia Corporation (US) 2006-07-26 EP claimed
WO-2005044194-A2 TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR PHARMACIA CORPORATION (US) 2005-05-19 WO claimed
WO-2005041879-A2 COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA PHARMACIA CORPORATION (US) 2005-05-12 WO claimed
EP-1682143-A2 COMBINATIONS COMPRISING AN HSP90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA Pharmacia Corporation (US) 2006-07-26 EP disclosed
WO-2005044194-A2 TREATMENT OR PREVENTION OF NEOPLASIA BY USE OF AN Hsp90 INHIBITOR PHARMACIA CORPORATION (US) 2005-05-19 WO disclosed
WO-2005041879-A2 COMBINATIONS COMPRISING AN Hsp90 INHIBITOR AND A PHOPHODIESTERASE INHIBITOR FOR TREATING OR PREVENTING NEOPLASIA PHARMACIA CORPORATION (US) 2005-05-12 WO disclosed