SCHEMBL5710090

SCHEMBL5710090

CCn1cc(C(=O)Oc2ccc(CN(C)C)cc2)c(=O)c2cc(F)c(F)c(OC(F)(F)F)c21

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
ADRB2 P07550 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 5/20 0.35
HPGD P15428 5/20 0.35
HSD17B10 Q99714 5/20 0.35
TSHR P16473 2/20 0.35
STAT3 P40763 1/20 0.35
PMP22 Q01453 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 1/20 0.34
PIM1 P11309 1/20 0.34
TOP1 P11387 3/20 0.33

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
SCHEMBL5709784 0.92 SMN1; SMN2 (0.36) SMN1; SMN2KMT2AALDH1A1KDM4EHPGD
SCHEMBL5709750 0.86 SMN1; SMN2 (0.36) SMN1; SMN2ADRB2ALDH1A1KDM4EHPGD
SCHEMBL5709767 0.83 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AALDH1A1KDM4EHPGD
SCHEMBL5526211 0.81 STAT3 (0.47) ADRB2KMT2AALDH1A1KDM4EHPGD
SCHEMBL5709797 0.78 MEN1 (0.40) SMN1; SMN2ADRB2KMT2AALDH1A1KDM4E
SCHEMBL5709783 0.76 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AALDH1A1KDM4EHPGD
SCHEMBL5524205 0.74 STAT3 (0.46) ADRB2KMT2AALDH1A1KDM4EHPGD
SCHEMBL5528122 0.73 STAT3 (0.47) ADRB2KMT2AALDH1A1KDM4EHPGD
SCHEMBL3869129 0.72 TOP1 (0.45) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3969340 0.71 HSD17B10 (0.41) KMT2AALDH1A1KDM4EHPGDHSD17B10

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
EP-1732897-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS Bayer Pharmaceuticals Corporation (US) 2006-12-20 EP disclosed
WO-2005097752-A1 QUINOLONE CARBOXYLIC ACID DERIVATIVES FOR TREATMENT OF HYPERPROLIFERATIVE CONDITIONS BAYER PHARMACEUTICALS CORPORATION (US) 2005-10-20 WO disclosed