SCHEMBL9475142

SCHEMBL9475142

O=C(NCCO[N+](=O)[O-])c1cc[c]cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
CYP2C9 P11712 1/20 0.59
ALOX15 P16050 1/20 0.59
CYP2C19 P33261 1/20 0.59
HSD17B10 Q99714 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 3/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
RECQL P46063 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8957386 0.84 MEN1 (0.70) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL9152126 0.79 KMT2A (0.56) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL1416011 0.79 HPGD (0.61) KMT2AMEN1SMN1; SMN2HPGDMAPT
SCHEMBL4432503 0.77 KMT2A (0.59) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL8846813 0.77 MEN1 (0.56) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL8846821 0.77 MEN1 (0.56) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL30310240 0.76 MEN1 (0.71) KMT2AMEN1CYP2C9ALOX15CYP2C19
SCHEMBL1416416 0.75 HPGD (0.56) KMT2AMEN1SMN1; SMN2HPGDHTT
SCHEMBL3038665 0.75 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2HPGDNPC1RAB9A
SCHEMBL2804467 0.75 CA12 (0.52) 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
US-5270308-A Hypotensives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-14 US claimed
US-5270308-A Hypotensives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-14 US disclosed