SCHEMBL29957728

SCHEMBL29957728

O=C(N[C@H]1CC[C@H](O)CC1)c1ccc(B(O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
NPC1 O15118 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.49
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
F2 P00734 1/20 0.47
ST14 Q9Y5Y6 1/20 0.47
SMYD3 Q9H7B4 3/20 0.47
LMNA P02545 1/20 0.44
BMPR1B O00238 1/20 0.44
BMPR1A P36894 1/20 0.44
TGFBR1 P36897 1/20 0.44
ACVRL1 P37023 1/20 0.44
ACVR1 Q04771 1/20 0.44
EPHX2 P34913 1/20 0.44
MAOA P21397 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
SCHEMBL119671 0.93 RAB9A (0.59) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL384423 0.87 NPC1 (0.63) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL531915 0.85 NPC1 (0.66) RAB9ANPC1SMN1; SMN2KMT2ACYP1A2
SCHEMBL15299247 0.83 NAMPT (0.51) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL29953351 0.82 NPC1 (0.51) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL19869658 0.80 SLC6A5 (0.51) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL11983529 0.80 RAB9A (0.73) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL12301894 0.80 RAB9A (0.73) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL12301895 0.80 RAB9A (0.73) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL4694494 0.80 NPC1 (0.69) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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