SCHEMBL8619050

SCHEMBL8619050

COc1ccc(C[C@H](Nc2nc3ccc(C(OC(N)=O)C(C)(C)C)c(C)c3c(=O)o2)C(=O)N2CCOCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CTRB1 P17538 2/20 0.37
KMT2A Q03164 1/20 0.34
FKBP1A P62942 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BLM P54132 1/20 0.33
F2 P00734 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
SCHEMBL27531939 0.82 ELANE (0.57) ELANECTRB1
SCHEMBL7831962 0.82 CTRB1 (0.42) ELANENPC1RAB9ACTRB1KMT2A
SCHEMBL7448303 0.81 ELANE (0.38) ELANENPC1RAB9AKMT2AFKBP1A
SCHEMBL6809994 0.81 CTRB1 (0.38) ELANENPC1RAB9ACTRB1KMT2A
SCHEMBL8654536 0.81 ELANE (0.41) ELANECTRB1SMN1; SMN2
SCHEMBL6498024 0.78 ELANE (0.37) ELANENPC1RAB9ACTRB1KMT2A
SCHEMBL7842073 0.77 CTRB1 (0.47) ELANENPC1RAB9ACTRB1KMT2A
SCHEMBL7840950 0.76 CTRB1 (0.43) ELANENPC1RAB9ACTRB1KMT2A
SCHEMBL27364609 0.76 ELANE (0.58) ELANECTRB1
SCHEMBL7451745 0.75 ELANE (0.43) ELANENPC1RAB9ACTRB1KMT2A

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
EP-0828721-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1998-03-18 EP disclosed