SCHEMBL7469321

SCHEMBL7469321

COC(=O)c1cccc(CN2C(=O)C(CCO)Oc3ccccc32)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TRPA1 O75762 1/20 0.52
MAPT P10636 5/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GSK3B P49841 1/20 0.49
POLB P06746 2/20 0.48
CYP4F2 P78329 2/20 0.47
CYP4A11 Q02928 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.46
THRB P10828 1/20 0.46
ABHD6 Q9BV23 1/20 0.44
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL7473593 0.89 TSHR (0.61) TSHRALDH1A1SMN1; SMN2GSK3BMEN1
SCHEMBL7472497 0.84 TSHR (0.47) TSHRALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL7465025 0.84 TSHR (0.55) TSHRALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL7476860 0.81 TSHR (0.64) TSHRALDH1A1SMN1; SMN2GSK3BPOLB
SCHEMBL7473140 0.81 TSHR (0.50) TSHRALDH1A1SMN1; SMN2GSK3BMEN1
SCHEMBL7477205 0.81 KMT2A (0.67) TSHRALDH1A1SMN1; SMN2MAPTGSK3B
SCHEMBL7470492 0.81 TSHR (0.53) TSHRALDH1A1SMN1; SMN2MAPTGSK3B
SCHEMBL9334424 0.80 TRPA1 (0.55) SMN1; SMN2TRPA1MAPTL3MBTL1GSK3B
SCHEMBL7472270 0.79 ALDH1A1 (0.55) TSHRALDH1A1SMN1; SMN2POLBMEN1
SCHEMBL7467559 0.78 TSHR (0.58) TSHRALDH1A1SMN1; SMN2L3MBTL1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869949-B1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO MCNEIL PHARM INC (US) 2002-12-18 EP disclosed
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