SCHEMBL8557722

SCHEMBL8557722

COc1ccc(CN2C(=O)C(CCOc3ccc(C(C)N=C(N)N)cc3)Oc3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.45
ADK P55263 1/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
PPARG P37231 10/20 0.40
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL8595841 0.92 TSHR (0.44) ALDH1A1SMN1; SMN2TSHRPPARG
SCHEMBL8556732 0.90 SIRT2 (0.41) ALDH1A1SMN1; SMN2TSHRSIRT2SIRT1
SCHEMBL8552816 0.88 PPARG (0.46) PPARG
SCHEMBL8555598 0.86 SIRT2 (0.43) ALDH1A1SMN1; SMN2TSHRSIRT2SIRT1
SCHEMBL8551158 0.86 TSHR (0.38) ALDH1A1SMN1; SMN2TSHRL3MBTL1SIRT2
SCHEMBL7465812 0.82 TSHR (0.41) ALDH1A1SMN1; SMN2TSHRL3MBTL1LMNA
SCHEMBL8555937 0.81 TSHR (0.48) ALDH1A1SMN1; SMN2TSHRL3MBTL1LMNA
SCHEMBL8557727 0.80 GSK3B (0.47) GSK3BADKALDH1A1SMN1; SMN2TSHR
SCHEMBL8555223 0.78 LMNA (0.36) ALDH1A1SMN1; SMN2TSHRL3MBTL1LMNA
SCHEMBL7470317 0.78 TSHR (0.38) TSHRPPARG

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
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed