SCHEMBL8917887

SCHEMBL8917887

Cc1c(NC(=O)Nc2ccc(Cl)cc2)sc2nc(C(N)CC(=O)OCc3ccccc3)oc(=O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
GAA P10253 4/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
CCKBR P32239 2/20 0.38
PPIA P62937 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
TP53 P04637 1/20 0.37
XBP1 P17861 1/20 0.37
NPC1 O15118 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL8912018 0.94 ALDH1A1 (0.39) MAPTGAAMEN1KMT2AALDH1A1
SCHEMBL8911896 0.87 ATM (0.38) ALDH1A1SMN1; SMN2NPSR1
SCHEMBL8913772 0.87 ITGB3 (0.39) ALDH1A1NPSR1RAB9A
SCHEMBL8917896 0.87 ATM (0.47) MEN1KMT2AALDH1A1HPGDPPIA
SCHEMBL8912045 0.86 ALDH1A1 (0.43) MAPTGAAKDM4EMEN1KMT2A
SCHEMBL8911361 0.85 NPSR1 (0.39) ALDH1A1HPGDSMN1; SMN2NPSR1TP53
SCHEMBL8911768 0.82 ALDH1A1 (0.39) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL8913843 0.81 NPSR1 (0.36) ALDH1A1SMN1; SMN2NPSR1RAB9A
SCHEMBL8912021 0.80 ATM (0.51) NPSR1
SCHEMBL8913653 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799230-A1 THIENOXAZINONE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1996019482-A1 THIENOXAZINONE DERIVATIVES USEFUL AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed