SCHEMBL7447429

SCHEMBL7447429

COc1ccc(C[C@H](Nc2nc3ccc(CNC(=O)OC(C)(C)C)c(C)c3c(=O)o2)C(=O)N(C)Cc2ccccc2)cc1.Cc1c(CNC(=O)OC(C)(C)C)ccc2nc(N[C@@H](Cc3ccccc3)C(=O)N(C)Cc3ccccc3)oc(=O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.47
CTRB1 P17538 4/20 0.47
CACNA1B Q00975 1/20 0.39
NPC1 O15118 1/20 0.38
PTPN1 P18031 2/20 0.35
PTPN2 P17706 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
AGTR1 P30556 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL6497427 1.00 ELANE (0.47) ELANECTRB1CACNA1BNPC1PTPN1
SCHEMBL7444283 0.95 ELANE (0.51) ELANECTRB1MEN1KMT2ATACR1
SCHEMBL6498129 0.92 ELANE (0.44) ELANECTRB1NPC1TACR1
SCHEMBL7449581 0.92 ELANE (0.46) ELANECTRB1PTPN1PTPN2ALDH1A1
SCHEMBL6498606 0.90 ELANE (0.59) ELANECTRB1CACNA1BNPC1PTPN1
SCHEMBL7548057 0.90 ELANE (0.42) ELANECTRB1NPC1MEN1KMT2A
SCHEMBL6505687 0.89 ELANE (0.49) ELANECTRB1PTPN1KMT2AITGA4
SCHEMBL7451067 0.88 ELANE (0.41) ELANECTRB1NPC1LMNAMEN1
SCHEMBL7829601 0.88 ELANE (0.49) ELANECTRB1MEN1KMT2ATACR1
SCHEMBL6807471 0.87 ELANE (0.42) ELANECTRB1NPC1RAB9AKMT2A

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 claimed