SCHEMBL6557968

SCHEMBL6557968

CON=C(C=C(C)C)C(C)=NOCc1ccccc1C(=NOC)C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.53
PTGS2 P35354 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL17381618 0.89 HIF1A (0.41) HIF1APTGS2LMNAALDH1A1KDM4E
SCHEMBL7744095 0.89 HIF1A (0.41) HIF1APTGS2LMNAALDH1A1KDM4E
SCHEMBL17797139 0.89 HIF1A (0.41) HIF1APTGS2LMNAALDH1A1KDM4E
SCHEMBL8444517 0.87 HIF1A (0.60) HIF1APTGS2LMNAALDH1A1PKM
SCHEMBL8444521 0.87 HIF1A (0.60) HIF1APTGS2LMNAALDH1A1PKM
SCHEMBL7740759 0.86 HIF1A (0.39) HIF1APTGS2LMNA
SCHEMBL8163429 0.84 HIF1A (0.57) HIF1APTGS2LMNAALDH1A1PKM
SCHEMBL7742004 0.83 HIF1A (0.39) HIF1APTGS2LMNAALDH1A1KDM4E
SCHEMBL7742002 0.83 HIF1A (0.39) HIF1APTGS2LMNAALDH1A1KDM4E
SCHEMBL13054270 0.83 HIF1A (0.61) HIF1APTGS2LMNAALDH1A1PKM

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-1121348-B1 AZADIOXACYCLOALKENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS FUNGICIDES AND PEST CONTROL AGENTS BASF AG (DE) 2004-03-10 EP disclosed
US-6537989-B1 A process for preparing compounds of the formula I as claimed in claim 3, wherein the nucleophilically replaceable group L is halide, C1-C4-alkylsulfonate, C1-C12-alkylphenylsulfonate or mono C1-C4-alkyl sulfate. BASF AKTIENGESELLSCHAFT (DE) 2003-03-25 US disclosed