SCHEMBL29956503

SCHEMBL29956503

C#CCCOc1cccc(C=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.54
MAOB P27338 8/20 0.54
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TDP1 Q9NUW8 1/20 0.49
SRC P12931 1/20 0.45
TLR4 O00206 3/20 0.43
TLR2 O60603 3/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCND1 P24385 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
FURIN P09958 1/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL5543437 0.84 MAOA (0.66) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL9871512 0.84 MAOA (0.54) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL20321107 0.83 MAOA (0.45) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL22374583 0.83 MAOB (0.45) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL29953529 0.83 MAOB (0.57) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL3523795 0.83 MAOB (0.57) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL30724528 0.83 MAOA (0.64) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL20321105 0.82 MAOA (0.44) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL30737401 0.82 MAOB (0.49) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL8716037 0.81 MAOA (0.62) MAOAMAOBNPC1RAB9ATDP1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed