SCHEMBL5576433

SCHEMBL5576433

C=Cc1nc2ccccc2n1CCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
HPGD P15428 4/20 0.50
SMN1; SMN2 Q16637 6/20 0.48
ALDH1A1 P00352 5/20 0.48
GAA P10253 4/20 0.48
TP53 P04637 3/20 0.48
NPC1 O15118 3/20 0.48
GLA P06280 3/20 0.48
RAB9A P51151 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPK1 P28482 1/20 0.47
POLB P06746 3/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL30897342 0.80 RAB9A (0.69) KDM4EHPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL30897395 0.78 LMNA (0.65) KDM4EALDH1A1GAATP53TDP1
SCHEMBL30897378 0.77 TNF (0.59) KDM4EHPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL30897366 0.77 SMN1; SMN2 (0.51) KDM4EHPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL30897374 0.76 KDM4E (0.72) KDM4EHPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL30897388 0.75 PRKACA (0.49) KDM4EHPGDSMN1; SMN2ALDH1A1GAA
SCHEMBL1520226 0.75 KMT2A (0.62) SMN1; SMN2ALDH1A1TP53NPC1RAB9A
SCHEMBL1520195 0.75 POLB (0.73) KDM4EHPGDSMN1; SMN2ALDH1A1TP53
SCHEMBL8659167 0.75 KDM4E (0.54) KDM4EHPGDSMN1; SMN2ALDH1A1TP53
SCHEMBL11632515 0.75 LMNA (0.64) KDM4EHPGDSMN1; SMN2RAB9ACYP1A2

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-1741451-B1 Use for cleaning and desinfecting in the field of milk production hygiene HYPRED SOC (FR) 2012-10-31 EP disclosed
EP-1741451-A1 Cleaning and desinfecting product and method in the field of milk production hygiene Societe Hypred (FR) 2007-01-10 EP disclosed