SCHEMBL25224644

SCHEMBL25224644

OC(CNCc1ccccc1)c1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
ADRB1 P08588 8/20 0.56
ADRB3 P13945 7/20 0.56
ADRB2 P07550 7/20 0.55
KDM4E B2RXH2 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SLC16A3 O15427 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL30488091 0.84 ADRB1 (0.50) LMNAADRB1ADRB3ADRB2KMT2A
SCHEMBL25271186 0.84 ADRB1 (0.50) LMNAADRB1ADRB3ADRB2KMT2A
SCHEMBL7278068 0.84 LMNA (0.77) LMNAADRB2KDM4EL3MBTL1SLC16A3
SCHEMBL1849603 0.84 LMNA (0.77) LMNAADRB2KDM4EL3MBTL1SLC16A3
SCHEMBL2289990 0.84 LMNA (0.77) LMNAADRB2KDM4EL3MBTL1SLC16A3
SCHEMBL10589633 0.80 SMN1; SMN2 (0.61) LMNAADRB1ADRB3ADRB2KDM4E
SCHEMBL11602525 0.77 ADRB1 (0.49) LMNAADRB1ADRB3KDM4EL3MBTL1
SCHEMBL23367359 0.77 SMN1; SMN2 (0.52) LMNAADRB1ADRB3ADRB2L3MBTL1
SCHEMBL25229181 0.77 ADRB1 (0.57) ADRB1ADRB3ADRB2
SCHEMBL4053207 0.77 ADRB1 (0.57) ADRB1ADRB3ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed