SCHEMBL7478778

SCHEMBL7478778

Cc1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)C(CCO)O2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.64
LMNA P02545 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
USP2 O75604 1/20 0.64
MAPK1 P28482 1/20 0.64
ATM Q13315 1/20 0.64
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 5/20 0.47
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 2/20 0.43
XIAP P98170 1/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL7470805 0.93 TSHR (0.54) TSHRLMNANPSR1USP2MAPK1
SCHEMBL7476798 0.91 TSHR (0.51) TSHRLMNANPSR1USP2MAPK1
SCHEMBL7470492 0.87 TSHR (0.53) TSHRLMNANPSR1USP2MAPK1
SCHEMBL7461596 0.85 TSHR (0.46) TSHRLMNANPSR1USP2MAPK1
SCHEMBL7475256 0.85 LMNA (0.45) TSHRLMNANPSR1USP2MAPK1
SCHEMBL7472497 0.84 TSHR (0.47) TSHRLMNANPSR1USP2MAPK1
SCHEMBL7465749 0.82 GSK3B (0.48) TSHRLMNANPSR1USP2MAPK1
SCHEMBL7477248 0.82 KMT2A (0.50) TSHRLMNANPSR1USP2MAPK1
SCHEMBL7473395 0.80 KDM4E (0.40) TSHRLMNANPSR1USP2MAPK1
SCHEMBL7472359 0.79 CASP1 (0.43) TSHRLMNANPSR1USP2MAPK1

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 5 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
US-5854242-A Benzoxazine antimicrobial agents ORTHO PHARMACEUTICAL CORPORATION (US) 1998-12-29 US disclosed
EP-0869949-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1998-10-14 EP disclosed
US-5696117-A BACTERICIDE ORTHO PHARMACEUTICAL CORPORATION (US) 1997-12-09 US disclosed
WO-1997017333-A1 BENZOXAZINE ANTIMICROBIAL AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-05-15 WO disclosed