SCHEMBL5709783

SCHEMBL5709783

CCn1cc(C(=O)Oc2ccc(CO)cc2)c(=O)c2cc(F)c(F)c(Cl)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 6/20 0.38
KDM4E B2RXH2 6/20 0.38
HPGD P15428 5/20 0.38
HSD17B10 Q99714 5/20 0.38
TSHR P16473 2/20 0.38
STAT3 P40763 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PMP22 Q01453 1/20 0.38
RAB9A P51151 2/20 0.38
THRB P10828 1/20 0.38
CHRM1 P11229 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL5709748 0.87 PDE10A (0.41) SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL10766493 0.82 STAT3 (0.54) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL9538319 0.79 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL10857506 0.78 HPGD (0.44) ALDH1A1KDM4EHPGDHSD17B10STAT3
SCHEMBL5528631 0.78 HTT (0.53) ALDH1A1KDM4EHPGDSTAT3RAB9A
SCHEMBL5709767 0.76 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5710090 0.76 LSS (0.38) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10518707 0.75 TDP1 (0.48) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL5709784 0.75 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5709750 0.75 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10

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