SCHEMBL7475256

SCHEMBL7475256

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
TSHR P16473 3/20 0.45
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TACR1 P25103 1/20 0.40
UBE2M P61081 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.38
HTT P42858 1/20 0.38
XIAP P98170 1/20 0.38
PLA2G1B P04054 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7476798 0.88 TSHR (0.51) LMNATSHRUSP2MAPK1ATM
SCHEMBL7478778 0.85 TSHR (0.64) LMNATSHRUSP2MAPK1ATM
SCHEMBL7470492 0.84 TSHR (0.53) LMNATSHRUSP2MAPK1ATM
SCHEMBL7461596 0.83 TSHR (0.46) LMNATSHRUSP2MAPK1ATM
SCHEMBL7465749 0.82 GSK3B (0.48) LMNATSHRUSP2MAPK1ATM
SCHEMBL7472497 0.80 TSHR (0.47) LMNATSHRUSP2MAPK1ATM
SCHEMBL7470805 0.80 TSHR (0.54) LMNATSHRUSP2MAPK1ATM
SCHEMBL7477248 0.80 KMT2A (0.50) LMNATSHRUSP2MAPK1ATM
SCHEMBL8555223 0.78 LMNA (0.36) LMNATSHRUSP2MAPK1ATM
SCHEMBL8555228 0.78 LMNA (0.37) LMNATSHRUSP2MAPK1ATM

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