SCHEMBL10076596

SCHEMBL10076596

Cn1ccnc1-c1nccn1CC=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 10/20 0.38
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.36
LPO P22079 1/20 0.35
FDPS P14324 1/20 0.35
ESR1 P03372 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL13372950 0.82 ALDH1A1 (0.37) BRD4KMT2AALDH1A1POLBLPO
SCHEMBL15332643 0.77
SCHEMBL2936291 0.77 ALDH1A1 (0.46) BRD4KMT2AALDH1A1POLBLPO
SCHEMBL308400 0.76 LPO (0.55) BRD4KMT2AALDH1A1POLBMEN1
SCHEMBL4104820 0.74 ESR1 (0.46) ALDH1A1POLBESR1SMN1; SMN2KDM4E
SCHEMBL31153305 0.73 LPO (0.52) BRD4KMT2AALDH1A1POLBLPO
Hydrochloric Acid SCHEMBL1806963 0.73 LPO (0.52) BRD4KMT2AALDH1A1POLBLPO
SCHEMBL24220236 0.72 KMT2A (0.36) BRD4KMT2AALDH1A1POLBMEN1
SCHEMBL7703330 0.71 AGTR2 (0.34) HPGDSMN1; SMN2PKM
SCHEMBL15332849 0.70 ALDH1A1 (0.45) KMT2AALDH1A1POLBMEN1

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-8092662-B2 Redox polymers ABBOTT DIABETES CARE INC. (US) 2012-01-10 US disclosed
US-20090145757-A1 Redox Polymers ABBOTT DIABETES CARE INC. 2009-06-11 US disclosed