SCHEMBL28981981

SCHEMBL28981981

O=C(O)C(Cc1ccc(O)cc1)Nc1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.55
PPARG P37231 2/20 0.50
FOLH1 Q04609 1/20 0.49
NAALAD2 Q9Y3Q0 1/20 0.49
AGER Q15109 1/20 0.49
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
SLC7A5 Q01650 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MME P08473 2/20 0.46
ACE P12821 2/20 0.45
MMP2 P08253 2/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 1/20 0.45
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 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
SCHEMBL31324782 0.88 FPR2 (0.61) FPR2PPARGMEN1KMT2AMME
SCHEMBL10442661 0.87 FOLH1 (0.48) FPR2PPARGFOLH1NAALAD2CA1
SCHEMBL10442660 0.87 FOLH1 (0.48) FPR2PPARGFOLH1NAALAD2CA1
SCHEMBL28789648 0.86 PPARG (0.60) FPR2PPARGFOLH1NAALAD2MME
SCHEMBL18351661 0.86 PPARG (0.56) PPARGFOLH1NAALAD2SLC7A5MEN1
SCHEMBL3923892 0.86 PPARG (0.56) PPARGFOLH1NAALAD2SLC7A5MEN1
SCHEMBL28789647 0.86 PPARG (0.60) FPR2PPARGFOLH1NAALAD2MME
SCHEMBL3923887 0.86 PPARG (0.56) PPARGFOLH1NAALAD2SLC7A5MEN1
SCHEMBL11276572 0.85 MME (0.53) PPARGFOLH1NAALAD2CA1CA2
SCHEMBL11276580 0.85 MME (0.53) PPARGFOLH1NAALAD2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115916234-A Molecules targeting RAS proteins 艾琳治疗公司 2023-04-04 CN disclosed