SCHEMBL7448303

SCHEMBL7448303

COc1ccc(C[C@H](Nc2nc3cc(C(C)(C)C)c(COC(N)=O)c(C)c3c(=O)o2)C(=O)N2CCOCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2 P00734 2/20 0.33
KMT2A Q03164 1/20 0.33
FKBP1A P62942 1/20 0.33
CYP2D6 P10635 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
SCHEMBL6498024 0.89 ELANE (0.37) ELANENPC1RAB9AF2KMT2A
SCHEMBL8619050 0.81 ELANE (0.38) ELANENPC1RAB9AHPGDSMN1; SMN2
SCHEMBL27531939 0.79 ELANE (0.57) ELANE
SCHEMBL6809994 0.78 CTRB1 (0.38) ELANENPC1RAB9AHPGDKMT2A
SCHEMBL7831962 0.77 CTRB1 (0.42) ELANENPC1RAB9AHPGDKMT2A
SCHEMBL6803473 0.77 ELANE (0.36) ELANE
SCHEMBL27364609 0.72 ELANE (0.58) ELANE
SCHEMBL7842073 0.72 CTRB1 (0.47) ELANENPC1RAB9AKMT2A
SCHEMBL6799137 0.72 CTRB1 (0.39) ELANENPC1RAB9AF2KMT2A
SCHEMBL7840950 0.71 CTRB1 (0.43) ELANENPC1RAB9AKMT2A

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