SCHEMBL7476798

SCHEMBL7476798

O=C1C(CCO)Oc2ccc(Cl)cc2N1Cc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.51
LMNA P02545 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
USP2 O75604 1/20 0.51
MAPK1 P28482 1/20 0.51
ATM Q13315 1/20 0.51
MAPT P10636 4/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
XIAP P98170 1/20 0.41
PTGDR2 Q9Y5Y4 3/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL7478778 0.91 TSHR (0.64) TSHRLMNANPSR1ALOX15HSD17B10
SCHEMBL7470492 0.91 TSHR (0.53) TSHRLMNANPSR1ALOX15HSD17B10
SCHEMBL7461596 0.89 TSHR (0.46) TSHRLMNANPSR1ALOX15HSD17B10
SCHEMBL7475256 0.88 LMNA (0.45) TSHRLMNANPSR1ALOX15HSD17B10
SCHEMBL7472497 0.86 TSHR (0.47) TSHRLMNANPSR1ALOX15HSD17B10
SCHEMBL7470805 0.86 TSHR (0.54) TSHRLMNANPSR1ALOX15HSD17B10
SCHEMBL7477248 0.86 KMT2A (0.50) TSHRLMNANPSR1ALOX15HSD17B10
SCHEMBL7465749 0.86 GSK3B (0.48) TSHRLMNANPSR1ALOX15HSD17B10
SCHEMBL7473395 0.85 KDM4E (0.40) TSHRLMNANPSR1ALOX15HSD17B10
SCHEMBL7472359 0.82 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