SCHEMBL6229147

SCHEMBL6229147

O=C(NCCCn1ccnc1)c1c[nH]c2ccccc2c1=O

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
IDE P14735 1/20 0.63
SMN1; SMN2 Q16637 3/20 0.60
KDM4E B2RXH2 3/20 0.56
LMNA P02545 2/20 0.56
THRB P10828 1/20 0.56
HSD17B10 Q99714 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTT P42858 1/20 0.53

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
Hydrochloric Acid SCHEMBL6204777 0.99 MEN1 (0.71) MEN1KMT2AIDESMN1; SMN2KDM4E
SCHEMBL6205541 0.82 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNANPC1
SCHEMBL7851349 0.78 IDE (0.90) MEN1KMT2AIDESMN1; SMN2
SCHEMBL7285112 0.78 KMT2A (0.67) MEN1KMT2AIDESMN1; SMN2LMNA
SCHEMBL4519037 0.78 MEN1 (0.59) MEN1KMT2AIDESMN1; SMN2KDM4E
SCHEMBL10856486 0.77 MEN1 (0.70) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL13894536 0.77 CFTR (0.58) LMNAL3MBTL1
SCHEMBL34468767 0.77 KDM4E (0.67) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL11010135 0.77 MEN1 (0.69) MEN1KMT2ASMN1; SMN2KDM4ELMNA
SCHEMBL10655218 0.76 MEN1 (0.69) MEN1KMT2ASMN1; SMN2KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177177-B1 SUBSTITUTED 4-OXO-QUINOLINE-3-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS NEUROGEN CORP (US) 2005-02-23 EP claimed