SCHEMBL8977924

SCHEMBL8977924

CCOC(=O)c1cnn2ccn(C)c12

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
NPC1 O15118 3/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 7/20 0.44
HPGD P15428 6/20 0.44
TSHR P16473 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.42
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
HSD17B10 Q99714 2/20 0.41
RECQL P46063 1/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.40

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
SCHEMBL20594512 0.81 SMN1; SMN2 (0.44) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL31293746 0.76 LMNA (0.42) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL31293757 0.73 ALDH1A1 (0.39) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8573566 0.72 RAB9A (0.50) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1693824 0.72 EPHB3 (0.45) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1138081 0.72 ALDH1A1 (0.46) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL600704 0.72 ALDH1A1 (0.67) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL15883632 0.72 ALDH1A1 (0.56) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3078049 0.71 SMN1; SMN2 (0.46) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL1458129 0.71 ALDH1A1 (0.50) RAB9ANPC1KDM4ESMN1; SMN2ALDH1A1

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
US-5525480-A USED FOR DETERMINATION OF HYDROLASES; COLORIMETRIC ANALYSIS BOEHRINGER MANNHEIM GMBH (DE) 1996-06-11 US disclosed
US-5457200-A Oxidative coupling reactions for determination of hydrogen peroxide BOEHRINGER MANNHEIM (DE) 1995-10-10 US disclosed
US-5334505-A For colorimetric determination of hydrolases BOEHRINGER MANNHEIM GMBH (DE) 1994-08-02 US disclosed
US-5234818-A Detecting hydrogen peroxide, peroxidase by oxidative coupling with electron-rich aromatic compound BOEHRINGER MANNHEIM GMBH (DE) 1993-08-10 US disclosed