SCHEMBL7477205

SCHEMBL7477205

O=C1C(CCO)Oc2ccccc2N1Cc1cccc(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
TSHR P16473 3/20 0.50
UBE2N P61088 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
GSK3B P49841 3/20 0.45
ADK P55263 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL7469541 0.92 KMT2A (0.57) KMT2AMEN1TSHRUBE2NTDP1
SCHEMBL7476860 0.86 TSHR (0.64) KMT2AMEN1TSHRNPSR1USP2
SCHEMBL7473140 0.86 TSHR (0.50) KMT2AMEN1TSHRNPSR1USP2
SCHEMBL7470492 0.86 TSHR (0.53) KMT2AMEN1TSHRNPSR1USP2
SCHEMBL7465749 0.84 GSK3B (0.48) KMT2AMEN1TSHRUBE2NTDP1
SCHEMBL7465025 0.83 TSHR (0.55) KMT2AMEN1TSHRNPSR1USP2
SCHEMBL7476552 0.82 GSK3B (0.54) KMT2AMEN1TSHRNPSR1USP2
SCHEMBL7472270 0.82 ALDH1A1 (0.55) KMT2AMEN1TSHRTDP1NPSR1
SCHEMBL7472445 0.81 TSHR (0.51) KMT2AMEN1TSHRNPSR1USP2
SCHEMBL7476998 0.81 TSHR (0.52) KMT2AMEN1TSHRNPSR1USP2

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