SCHEMBL4706791

SCHEMBL4706791

Nc1cccc(N)c1.Nc1ccccc1Oc1ccccc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.55
CASP1 P29466 2/20 0.55
RECQL P46063 1/20 0.55
ALDH1A1 P00352 6/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
RCE1 Q9Y256 1/20 0.52
MAOB P27338 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ADRA2B P18089 1/20 0.48
PTGS1 P23219 1/20 0.48
MAOA P21397 2/20 0.43
TLR4 O00206 1/20 0.41
IKBKB O14920 1/20 0.41
BRAF P15056 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL1352503 0.85 ALDH1A1 (0.68) CYP3A4ALDH1A1GAAKDM4EMAPT
SCHEMBL30979203 0.85 KDM4E (0.65) CYP3A4CASP1RECQLALDH1A1GAA
SCHEMBL81185 0.85 KDM4E (0.65) CYP3A4CASP1RECQLALDH1A1GAA
SCHEMBL29508342 0.85 KDM4E (0.65) CYP3A4CASP1RECQLALDH1A1GAA
SCHEMBL599354 0.84 GAA (0.50) CYP3A4CASP1ALDH1A1GAAKDM4E
SCHEMBL6293125 0.83 KDM4E (0.62) CYP3A4CASP1RECQLALDH1A1GAA
SCHEMBL1271684 0.83 KDM4E (0.62) CYP3A4CASP1RECQLALDH1A1GAA
SCHEMBL1361220 0.83 KDM4E (0.62) CYP3A4CASP1RECQLALDH1A1GAA
Hydrochloric Acid SCHEMBL11737056 0.83 KDM4E (0.62) CYP3A4CASP1RECQLALDH1A1GAA
SCHEMBL6289306 0.83 KDM4E (0.62) CYP3A4CASP1RECQLALDH1A1GAA

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
US-7393383-B2 Separation membrane made from blends of polyimide with polyamide or polyimide-amide polymers L'AIR LIQUIDE, SOCIETE ANONYME A DIRECTOIRE ET CONSEIL DE SURVEILLANCE POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2008-07-01 US disclosed
US-20060156920-A1 Novel separation membrane made from blends of polyimide with polyamide or polyimide-amide polymers L'AIR LIQUIDE, SOCIETE ANONYME A DIRECTOIRE ET CONSEIL DE SURVEILLANCE POUR L'ETUDE ET L'EXPLOITATION DES PROCEDES GEORGES CLAUDE (FR) 2006-07-20 US disclosed