SCHEMBL8440899

SCHEMBL8440899

O=C1CCCN1C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
MEN1 O00255 3/20 0.58
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
THRB P10828 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
RECQL P46063 1/20 0.58
BLM P54132 1/20 0.58
MITF O75030 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 2/20 0.51
TDP1 Q9NUW8 2/20 0.50
HPGD P15428 1/20 0.50
PGR P06401 3/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA12 O43570 1/20 0.49

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
SCHEMBL8538882 0.95 SMN1; SMN2 (0.58) KMT2AMEN1MAPTKDM4ECYP1A2
SCHEMBL8545715 0.94 SMN1; SMN2 (0.60) KMT2AMEN1MAPTKDM4ECYP1A2
SCHEMBL5182886 0.85 KMT2A (0.75) KMT2AMEN1MAPTKDM4ECYP1A2
SCHEMBL10047883 0.85 ALDH1A1 (0.53) KMT2AMEN1MAPTSMN1; SMN2POLB
SCHEMBL8778583 0.81 KMT2A (0.49) KMT2AMEN1SMN1; SMN2POLBHPGD
SCHEMBL8421386 0.81 CES1 (0.53) KMT2AMEN1SMN1; SMN2POLBTDP1
SCHEMBL8544026 0.81 L3MBTL1 (0.51) KMT2AMEN1MAPTKDM4ECYP1A2
SCHEMBL8377415 0.80 MITF (0.73) KMT2AMEN1MAPTKDM4ECYP1A2
SCHEMBL6990464 0.80 ALDH1A1 (0.52) KMT2AMEN1MAPTMITFSMN1; SMN2
SCHEMBL8538617 0.79 SMN1; SMN2 (0.50) KMT2AMEN1MAPTKDM4ECYP1A2

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-0730631-B1 BLEACHING COMPOSITIONS WARWICK INT GROUP (GB) 1999-07-07 EP disclosed