SCHEMBL7840282

SCHEMBL7840282

COc1ccc(C[C@H](Nc2nc3ccc(CNC(=O)O)c(C)c3c(=O)o2)C(=O)N(C)c2ccc(Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 11/20 0.40
CTRB1 P17538 3/20 0.39
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34

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
SCHEMBL7845411 0.93 ELANE (0.46) ELANECTRB1
SCHEMBL6498899 0.88 ELANE (0.38) ELANECTRB1POLBMAPTKMT2A
SCHEMBL7829580 0.84 ELANE (0.43) ELANECTRB1KMT2A
SCHEMBL6500724 0.83 ELANE (0.43) ELANECTRB1
SCHEMBL6500847 0.82 ELANE (0.45) ELANECTRB1
SCHEMBL6805471 0.81 ELANE (0.43) ELANECTRB1
SCHEMBL6503610 0.81 CTRB1 (0.49) ELANECTRB1POLBKMT2A
SCHEMBL7840487 0.79 CTRB1 (0.53) ELANECTRB1KMT2A
SCHEMBL27382349 0.79 ELANE (0.59) ELANECTRB1
SCHEMBL7447429 0.78 ELANE (0.47) ELANECTRB1MAPTKMT2AITGA4

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-B1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS SEARLE & CO (US) 2001-11-14 EP claimed