SCHEMBL1937327

SCHEMBL1937327

N#CC(=N)N=C(N)N1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
MAPT P10636 8/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA9 Q16790 3/20 0.36
CA2 P00918 2/20 0.36
PLA2G7 Q13093 1/20 0.35
POLB P06746 1/20 0.35
HTT P42858 1/20 0.33
FAAH O00519 1/20 0.31
PHGDH O43175 1/20 0.31
ALDH2 P05091 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31

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
Moroxydine SCHEMBL2945594 0.78 LMNA (1.00) LMNASMN1; SMN2ALDH1A1KMT2ACA12
Moroxydine SCHEMBL19038555 0.78 LMNA (1.00) LMNASMN1; SMN2ALDH1A1KMT2ACA12
Moroxydine SCHEMBL7952575 0.76 LMNA (0.96) LMNASMN1; SMN2ALDH1A1KMT2ACA12
SCHEMBL7963478 0.75 LMNA (0.53) LMNAMAPTSMN1; SMN2ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL15537612 0.75 LMNA (0.70) LMNASMN1; SMN2ALDH1A1KMT2ACA12
Moroxydine SCHEMBL16011670 0.73 LMNA (0.88) LMNASMN1; SMN2ALDH1A1KMT2ACA12
SCHEMBL27218189 0.69 LMNA (0.47) LMNASMN1; SMN2ALDH1A1KMT2ACA12
Hydrochloric Acid SCHEMBL15537745 0.69 LMNA (0.61) LMNAMAPTSMN1; SMN2ALDH1A1CA12
SCHEMBL12002589 0.69 LMNA (0.61) LMNASMN1; SMN2ALDH1A1KMT2ACA12
SCHEMBL22347892 0.69 LMNA (0.61) LMNASMN1; SMN2ALDH1A1KMT2ACA12

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-2332925-A1 NOVEL DIHYDROTRIAZINE DERIVATIVE Hamari Chemicals, Ltd. (JP) 2011-06-15 EP disclosed