SCHEMBL8911768

SCHEMBL8911768

CCCCCC(=O)Nc1sc2nc(C(N)CC(=O)OCc3ccccc3)oc(=O)c2c1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
CETP P11597 1/20 0.36
PLTP P55058 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
SCHEMBL8911412 0.88 SMN1; SMN2 (0.36) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL8912045 0.87 ALDH1A1 (0.43) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL8911772 0.86 ATM (0.48) MAOBNPSR1
SCHEMBL8911764 0.86 ATM (0.48) MAOBNPSR1
SCHEMBL8911361 0.86 NPSR1 (0.39) ALDH1A1NPSR1
SCHEMBL8912018 0.85 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL8913772 0.84 ITGB3 (0.39) ALDH1A1NPSR1
SCHEMBL8911896 0.84 ATM (0.38) ALDH1A1NPSR1
SCHEMBL8913843 0.82 NPSR1 (0.36) ALDH1A1NPSR1
SCHEMBL8917887 0.82 MAPT (0.40) ALDH1A1MEN1KMT2APOLBKDM4E

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