SCHEMBL7444707

SCHEMBL7444707

Cc1c(CNC(=O)OC(C)(C)C)cc(Br)c2nc(N[C@@H](Cc3ccccc3)C(=O)N(C)Cc3ccccc3)oc(=O)c12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.39
CTRB1 P17538 1/20 0.39
TACR1 P25103 4/20 0.36
HCRTR1 O43613 1/20 0.35
CTSS P25774 3/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSK P43235 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ATM Q13315 2/20 0.34
ACE P12821 1/20 0.34
PTGER4 P35408 1/20 0.34
AKT1 P31749 1/20 0.33

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
SCHEMBL6506254 0.91 ELANE (0.41) ELANECTRB1TACR1
SCHEMBL7444283 0.87 ELANE (0.51) ELANECTRB1TACR1HCRTR1CTSS
SCHEMBL6505024 0.86 ELANE (0.40) ELANECTRB1TACR1KMT2AMEN1
SCHEMBL6800996 0.85 ELANE (0.41) ELANECTRB1TACR1HCRTR1
SCHEMBL6507241 0.83 ELANE (0.40) ELANECTRB1TACR1
SCHEMBL6801500 0.83 ELANE (0.42) ELANECTRB1TACR1HCRTR1KMT2A
SCHEMBL6497427 0.83 ELANE (0.47) ELANECTRB1TACR1KMT2AMEN1
SCHEMBL7447429 0.83 ELANE (0.47) ELANECTRB1TACR1KMT2AMEN1
SCHEMBL6806041 0.83 ELANE (0.40) ELANECTRB1TACR1HCRTR1KMT2A
SCHEMBL6503633 0.83 USP2 (0.41) ELANETACR1CTSBKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 WO claimed
WO-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 WO disclosed