SCHEMBL9389262

SCHEMBL9389262

COC(=O)c1ccc(OCCCN2CCN(c3cc(=O)n(C)c(=O)n3C)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 7/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 3/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
SLC9A1 P19634 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HRH1 P35367 4/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
VCAM1 P19320 1/20 0.41

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
Oxalic Acid SCHEMBL9385491 0.97 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
Oxalic Acid SCHEMBL9385484 0.97 ALDH1A1 (0.51) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9385661 0.91 ALDH1A1 (0.48) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
Oxalic Acid SCHEMBL9388811 0.89 KDM4E (0.53) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9384791 0.88 KDM4E (0.48) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
Oxalic Acid SCHEMBL9385870 0.86 KDM4E (0.51) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
Oxalic Acid SCHEMBL9386027 0.86 KDM4E (0.51) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9428812 0.85 HRH1 (0.45) ALDH1A1KDM4EMAPTCYP2C9CYP2C19
SCHEMBL9385253 0.85 ALDH1A1 (0.60) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9385745 0.85 ALDH1A1 (0.47) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369627-B1 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS (JP) 1994-12-21 EP disclosed
US-5008267-A Pyrimidinedione compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1991-04-16 US disclosed
EP-0369627-A2 Pyrimidinedione derivative compounds, method of producing the same and antiarrythmic agents containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-05-23 EP disclosed