SCHEMBL31500545

SCHEMBL31500545

O=C(O)c1ncncc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.48
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
MAP4K4 O95819 1/20 0.45
FOLH1 Q04609 2/20 0.44
IDO1 P14902 1/20 0.44
SGMS2 Q8NHU3 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
AOC3 Q16853 1/20 0.43
RXRA P19793 3/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 1/20 0.43
HPGD P15428 1/20 0.43
BRD4 O60885 1/20 0.43
ALPG P10696 1/20 0.43
PTK2B Q14289 1/20 0.43
XDH P47989 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
SCHEMBL30876131 0.87 ALDH1A1 (0.43) P4HTMNR4A1NR4A2NR4A3MEN1
SCHEMBL21265705 0.87 ALDH1A1 (0.43) P4HTMNR4A1NR4A2NR4A3MEN1
SCHEMBL30848623 0.78 LTA4H (0.58) SGMS2RXRARXRBRXRGHPGD
SCHEMBL2426791 0.78 LTA4H (0.58) SGMS2RXRARXRBRXRGHPGD
SCHEMBL1921588 0.77 P4HTM (0.57) P4HTMNR4A1NR4A2NR4A3MAP4K4
SCHEMBL8881727 0.77 MEN1 (0.54) NR4A1NR4A2NR4A3MAP4K4MEN1
Hydrochloric Acid SCHEMBL10705444 0.76 LTA4H (0.57) SGMS2RXRARXRBRXRGHPGD
SCHEMBL10709903 0.76 PLAU (0.58) MAP4K4FOLH1MEN1KMT2ARXRA
SCHEMBL31499771 0.76 EDNRA (0.48) P4HTMNR4A1NR4A2NR4A3MAP4K4
SCHEMBL20607933 0.76 PTGER1 (0.54) P4HTMMAP4K4FOLH1MEN1KMT2A

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
CN-120077048-A Tricyclic compounds and uses thereof 诺华股份有限公司 2025-05-30 CN disclosed
WO-2025087274-A1 AZABICYCLO DERIVATIVE AND PREPARATION METHOD THEREFOR, AND USE 浙江海正药业股份有限公司 2025-05-01 WO disclosed