SCHEMBL24860609

SCHEMBL24860609

Nc1cc(C(O)O)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 5/20 0.46
NOS2 P35228 5/20 0.46
NOS1 P29475 4/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GABRP O00591 2/20 0.45
GABRD O14764 2/20 0.45
GABRA1 P14867 2/20 0.45
GABRB1 P18505 2/20 0.45
GABRG2 P18507 2/20 0.45
GABRB3 P28472 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRA3 P34903 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
GABRA4 P48169 2/20 0.45
GABRE P78334 2/20 0.45
GABRA6 Q16445 2/20 0.45
GABRG1 Q8N1C3 2/20 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
SCHEMBL514592 0.83 NOS3 (0.48) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL1158983 0.78 NOS3 (0.48) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL2117843 0.77 NOS3 (0.47) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL84401 0.77 NOS3 (0.52) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL30101542 0.77 NOS3 (0.47) NOS3NOS2NOS1KDM4EMEN1
Hydrochloric Acid SCHEMBL31600990 0.76 NOS3 (0.45) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL4322612 0.76 NOS3 (0.50) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL19077800 0.74 NOS3 (0.48) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL13391128 0.74 NOS3 (0.48) NOS3NOS2NOS1KDM4EMEN1
SCHEMBL22838450 0.74 NOS3 (0.48) NOS3NOS2NOS1KDM4EMEN1

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
EP-3814343-B1 CARDIAC SARCOMERE INHIBITORS CYTOKINETICS INC (US) 2023-01-11 EP disclosed