SCHEMBL8980569

SCHEMBL8980569

O=C1c2ccccc2OCN1CCCCCO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
RGS12 O14924 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
PABPC1 P11940 1/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38

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
SCHEMBL8578943 0.94 PRMT5 (0.39) TDP1KMT2AKDM4EMEN1RGS12
SCHEMBL6947117 0.88 TSHR (0.41) KMT2AKDM4EMEN1NPC1RAB9A
SCHEMBL9173037 0.86 HTR7 (0.37) HTR7PKMTSHRHTR1ADRD2
SCHEMBL13063351 0.84 PKM (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7386417 0.84 ALDH1A1 (0.46) KMT2AKDM4EMEN1NPC1ALDH1A1
SCHEMBL13438368 0.82 TSHR (0.39) KMT2AKDM4ELMNAPRMT5WDR77
SCHEMBL8981116 0.81 RXFP1 (0.39) NPC1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8980599 0.79 TSHR (0.41) KMT2AKDM4EHTTSMN1; SMN2PRMT5
SCHEMBL8639215 0.79 TSHR (0.41) KMT2AKDM4ESMN1; SMN2PRMT5WDR77
SCHEMBL9165703 0.78 PTGS2 (0.35) HTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711286-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.p.A. (IT) 1996-05-15 EP disclosed
EP-0490183-B1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO SPA (IT) 1995-04-19 EP disclosed
WO-1995004048-A1 BENZOXAZINONES AND BENZOTHIAZINONES ENDOWED WITH THERAPEUTIC ACTIVITY ITALFARMACO S.P.A. (IT) 1995-02-09 WO disclosed
US-5189034-A Vasodilating, antianginal agents ITALFARMACO S.P.A. (IT) 1993-02-23 US disclosed
EP-0490183-A1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO S.p.A. (IT) 1992-06-17 EP disclosed