SCHEMBL5833148

SCHEMBL5833148

Cc1[nH]c(C(=O)c2cc3cc(OCc4ccccc4)ncc3[nH]2)c(C)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
SRD5A2 P31213 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SRD5A1 P18405 1/20 0.44
FLT3 P36888 1/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.42
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42

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
SCHEMBL4275083 0.91 RAB9A (0.56) PDGFRBPDGFRAALDH1A1KDM4EHPGD
SCHEMBL13660724 0.89 PDGFRB (0.44) PDGFRBPDGFRASRD5A2ALDH1A1KDM4E
SCHEMBL20742915 0.71 PDGFRB (0.68) PDGFRBPDGFRASRD5A2ALDH1A1KDM4E
SCHEMBL7688984 0.70 SRD5A2 (0.51) PDGFRBPDGFRASRD5A2ALDH1A1KDM4E
SCHEMBL4266872 0.70 GABRP (0.53) PDGFRBPDGFRASRD5A2ALDH1A1KDM4E
SCHEMBL20762579 0.69 PDGFRB (0.61) PDGFRBPDGFRASRD5A2ALDH1A1KDM4E
SCHEMBL4281599 0.69 GABRP (0.54) PDGFRBPDGFRASRD5A2ALDH1A1KDM4E
SCHEMBL20742929 0.67 SRD5A2 (0.53) PDGFRBPDGFRASRD5A2ALDH1A1KDM4E
SCHEMBL20762061 0.66 PDGFRB (0.73) PDGFRBPDGFRASRD5A2ALDH1A1KDM4E
SCHEMBL187522 0.65 SRD5A2 (0.76) PDGFRBPDGFRASRD5A2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732566-A2 6-AZAINDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP claimed
WO-2005097129-A2 6-AZAINDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-20 WO claimed
EP-1732566-A2 6-AZAINDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
WO-2005097129-A2 6-AZAINDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-20 WO disclosed