SCHEMBL29957752

SCHEMBL29957752

OB(O)c1ccc(Oc2cccnc2)cc1F

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP19A1 P11511 3/20 0.48
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
HTT P42858 1/20 0.41
LTA4H P09960 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PPARD Q03181 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL257945 1.00 LMNA (0.56) LMNATDP1CYP19A1NPC1GAA
SCHEMBL13857858 0.81 CA1 (0.53) TDP1LTA4HFFAR4
SCHEMBL2555152 0.81 CYP3A4 (0.38)
SCHEMBL12330285 0.80 LMNA (0.61) LMNATDP1CYP19A1NPC1GAA
SCHEMBL177751 0.80 SLC6A2 (0.42) FFAR4
SCHEMBL2562128 0.79 P2RY14 (0.35)
SCHEMBL257909 0.78 F9 (0.46) LMNACYP19A1CYP11B1CYP11B2
SCHEMBL258021 0.77 SOS1 (0.46) FFAR4
SCHEMBL12260750 0.77 LMNA (0.61) LMNATDP1CYP19A1NPC1GAA
SCHEMBL257633 0.77 SMN1; SMN2 (0.51) SMN1; SMN2

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