SCHEMBL5698752

SCHEMBL5698752

COc1ccc2c(c1)CCc1c(C(F)(F)F)nn(-c3ccc(C(=O)O)cc3)c1-2

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
USP2 O75604 1/20 0.59
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
KMT2A Q03164 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PTGS1 P23219 2/20 0.52
PTGS2 P35354 2/20 0.52
RAD52 P43351 1/20 0.51
F10 P00742 13/20 0.48
F2 P00734 3/20 0.48
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCNA1 P78396 1/20 0.45

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
SCHEMBL6265264 0.91 PTGS1 (0.53) MAPTKDM4EMEN1USP2HPGD
SCHEMBL6353347 0.84 PTGS2 (0.72) PTGS1PTGS2F10
SCHEMBL11868715 0.80 RAD52 (0.68) MAPTKDM4EMEN1HPGDKMT2A
SCHEMBL8735027 0.75 PTGS2 (0.59) PTGS1PTGS2F10F2
SCHEMBL6487680 0.75 CCNA2 (0.55) KDM4EMEN1KMT2APTGS1PTGS2
SCHEMBL11867763 0.75 RAD52 (0.70) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7230422 0.74 PTGS1 (0.47) PTGS1PTGS2
SCHEMBL11865536 0.73 RAD52 (0.61) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL6339161 0.72 PTGS2 (0.74) PTGS1PTGS2
SCHEMBL181806 0.72 KMT2A (0.50) MAPTKDM4EMEN1USP2HPGD

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 3 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 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