SCHEMBL9375258

SCHEMBL9375258

COc1ccc2[nH]cc(C3=C(c4c[nH]c5ccc(OC)cc45)C(=O)N(Cc4cccc(C(F)(F)F)c4)C3=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.49
HTR1A P08908 5/20 0.47
DRD2 P14416 4/20 0.47
TACR1 P25103 1/20 0.46
SSTR1 P30872 1/20 0.46
SSTR2 P30874 1/20 0.46
SSTR4 P31391 1/20 0.46
SSTR3 P32745 1/20 0.46
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
NPBWR1 P48145 1/20 0.43
CHRM5 P08912 1/20 0.43
TP53 P04637 2/20 0.43
KDR P35968 1/20 0.42
POLB P06746 2/20 0.42
GPR55 Q9Y2T6 1/20 0.42
ACHE P22303 1/20 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
SCHEMBL9543016 0.87 HTR1A (0.44) HTR1ADRD2TACR1SSTR1SSTR2
SCHEMBL8335507 0.83 SIRT2 (0.56) SIRT2HTR1ADRD2MAPTSMN1; SMN2
SCHEMBL8316997 0.80 SIRT2 (0.53) SIRT2TACR1SSTR1SSTR2SSTR4
SCHEMBL8335104 0.78 HTR1A (0.50) SIRT2HTR1ADRD2MAPTSMN1; SMN2
SCHEMBL8314260 0.76 SIRT2 (0.69) SIRT2TACR1
SCHEMBL8322554 0.74 SIRT2 (0.74) SIRT2HTR1ADRD2MEN1KMT2A
SCHEMBL7198405 0.73 SIRT2 (0.60) SIRT2HTR1AMAPTSMN1; SMN2MEN1
SCHEMBL9733015 0.72 HTR2A (0.58) SSTR1SSTR2SSTR4SSTR3SMN1; SMN2
SCHEMBL8313886 0.72 PRKACA (0.61) SIRT2TACR1MAPTSMN1; SMN2MEN1
SCHEMBL5434917 0.70 SIRT2 (0.57) SIRT2MAPTSMN1; SMN2MEN1KMT2A

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-0630241-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1994-12-28 EP claimed
WO-1993018765-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-30 WO claimed
EP-0630241-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1994-12-28 EP disclosed
WO-1993018765-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-30 WO disclosed