SCHEMBL5698653

SCHEMBL5698653

O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccncc2)cs1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.72
LMNA P02545 4/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
KDM4E B2RXH2 2/20 0.72
MAPK1 P28482 1/20 0.72
PARP1 P09874 2/20 0.63
ROCK1 Q13464 1/20 0.61
RAB9A P51151 5/20 0.60
HDAC4 P56524 1/20 0.56
MEF2D Q14814 1/20 0.56
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
NPC1 O15118 3/20 0.55
HTT P42858 3/20 0.55
ALDH1A1 P00352 2/20 0.55
POLB P06746 2/20 0.54
PTGS2 P35354 1/20 0.53
GFER P55789 1/20 0.51
HPGD P15428 1/20 0.51
RECQL P46063 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
SCHEMBL5698643 1.00 MAPT (0.72) MAPTLMNASMN1; SMN2KDM4EMAPK1
SCHEMBL3607908 0.89 RAB9A (0.60) MAPTLMNASMN1; SMN2KDM4EMAPK1
SCHEMBL3607905 0.89 RAB9A (0.60) MAPTLMNASMN1; SMN2KDM4EMAPK1
SCHEMBL4750289 0.83 RAB9A (0.53) MAPTLMNASMN1; SMN2KDM4EMAPK1
SCHEMBL10812081 0.77 RAB9A (0.80) MAPTLMNASMN1; SMN2ROCK1RAB9A
SCHEMBL10922446 0.77 RAB9A (0.80) MAPTLMNASMN1; SMN2ROCK1RAB9A
SCHEMBL4746832 0.77 MAPT (0.67) MAPTLMNASMN1; SMN2KDM4EMAPK1
SCHEMBL4746833 0.77 MAPT (0.67) MAPTLMNASMN1; SMN2KDM4EMAPK1
SCHEMBL4746834 0.77 MAPT (0.67) MAPTLMNASMN1; SMN2KDM4EMAPK1
SCHEMBL4749567 0.77 MAPT (0.63) MAPTLMNASMN1; SMN2KDM4EMAPK1

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