SCHEMBL12986933

SCHEMBL12986933

CC(C)CC(=O)OCc1ncccc1C(=O)NCCO[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.38
KCNA5 P22460 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACHE P22303 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL12987053 0.86 KMT2A (0.47) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL12986889 0.86 KMT2A (0.47) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL12987782 0.84 MEN1 (0.49) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL12986566 0.82 MEN1 (0.47) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL12986930 0.79 PTGS2 (0.58) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL12988568 0.77 MEN1 (0.44) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL15655904 0.70 KMT2A (0.47) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL9377113 0.69 CHIA (0.65) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL9084228 0.69 MEN1 (0.57) KMT2AMEN1CYP2C9ALOX15CYP2C19
Hydrochloric Acid SCHEMBL9377949 0.69 CHIA (0.64) KMT2AMEN1CYP2C9ALOX15CYP2C19

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-2693876-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS Sphaera Pharma Pte. Ltd (SG) 2014-02-12 EP claimed
WO-2012137225-A1 SUBSTITUTED METHYLFORMYL REAGENTS AND METHOD OF USING SAME TO MODIFY PHYSICOCHEMICAL AND/OR PHARMACOKINETIC PROPERTIES OF COMPOUNDS SPHAERA PHARMA PVT. LTD (IN) 2012-10-11 WO claimed