SCHEMBL8310344

SCHEMBL8310344

O=C(NCCO)c1ccc(Cl)nn1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
MAOB P27338 1/20 0.45
ALPL P05186 3/20 0.43
MALT1 Q9UDY8 1/20 0.43
ALPG P10696 1/20 0.43
CNR1 P21554 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KMT2A Q03164 1/20 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
SCHEMBL938839 0.88 ALPL (0.46) JUNNFKB1NFKB2RELAPOLB
SCHEMBL8310937 0.86 NPC1 (0.47) JUNNFKB1NFKB2RELAPOLB
SCHEMBL936146 0.83 JUN (0.47) JUNNFKB1NFKB2RELAMAOB
SCHEMBL8308548 0.83 HPGD (0.54) JUNNFKB1NFKB2RELAHPGD
SCHEMBL937874 0.82 JUN (0.46) JUNNFKB1NFKB2RELAMAOB
SCHEMBL937296 0.82 PANK3 (0.48) ALPLCNR1SMN1; SMN2
SCHEMBL937430 0.82 NAAA (0.50) HPGDHTTCNR1KDM4E
SCHEMBL20152022 0.82 JUN (0.48) JUNNFKB1NFKB2RELAPOLB
SCHEMBL937910 0.81 NPC1 (0.58) POLBCNR1SMN1; SMN2KDM4EMAPT
SCHEMBL938874 0.81 NAAA (0.52) HPGDCNR1SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946552-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-06 EP disclosed
EP-0918769-A1 SUBSTITUTED PIPERAZINYL-PHENYL-OXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTI-BACTERIAL AGENTS AstraZeneca AB (SE) 1999-06-02 EP disclosed
WO-1998013366-A1 SULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-04-02 WO disclosed
WO-1998001446-A1 SUBSTITUTED PIPERAZINYL-PHENYL-OXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTI-BACTERIAL AGENTS ZENECA LIMITED (GB) 1998-01-15 WO disclosed