SCHEMBL7444283

SCHEMBL7444283

Cc1c(CNC(=O)OC(C)(C)C)ccc2nc(N[C@@H](Cc3ccccc3)C(=O)N(C)Cc3ccccc3)oc(=O)c12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 9/20 0.51
CTRB1 P17538 3/20 0.51
HCRTR1 O43613 1/20 0.36
CTSS P25774 3/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
CTSK P43235 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ATM Q13315 2/20 0.36
TACR1 P25103 2/20 0.35

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
SCHEMBL7447429 0.95 ELANE (0.47) ELANECTRB1KMT2AMEN1TACR1
SCHEMBL6497427 0.95 ELANE (0.47) ELANECTRB1KMT2AMEN1TACR1
SCHEMBL7829601 0.93 ELANE (0.49) ELANECTRB1CTSSCTSLCTSB
SCHEMBL6496064 0.91 ELANE (0.47) ELANECTRB1TACR1
SCHEMBL7437409 0.89 ELANE (0.65) ELANECTRB1HCRTR1CTSSCTSL
SCHEMBL7444621 0.88 ELANE (0.45) ELANECTRB1TACR1
SCHEMBL7444707 0.87 ELANE (0.39) ELANECTRB1HCRTR1CTSSCTSL
SCHEMBL7449581 0.87 ELANE (0.46) ELANECTRB1KMT2AMEN1
SCHEMBL6498129 0.86 ELANE (0.44) ELANECTRB1TACR1
SCHEMBL6500724 0.86 ELANE (0.43) ELANECTRB1TACR1

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 1 patent. 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 disclosed