SCHEMBL17689745

SCHEMBL17689745

Cc1cc(N=NN)ccc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.42
▸ MKNK2 Q9HBH9 1/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ GLO1 Q04760 1/20 0.39
▸ SLC9A1 P19634 1/20 0.38
▸ NOS1 P29475 2/20 0.38
▸ PHLPP2 Q6ZVD8 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ SIRT3 Q9NTG7 1/20 0.37
▸ NNMT P40261 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NOS3 P29474 1/20 0.35

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
SCHEMBL3241977 0.79 MAPK1 (0.60) MKNK1MKNK2GLO1PHLPP2TDP1
SCHEMBL17340268 0.79 KMT2A (0.47) MKNK1MKNK2NNMTKDM4EALDH1A1
SCHEMBL28253687 0.76 MKNK1 (0.40) MKNK1MKNK2NOS1TDP1SIRT3
SCHEMBL17340297 0.76 HPGD (0.48) ALDH1A1GAAKMT2A
SCHEMBL7888202 0.74 ALDH1A1 (0.42) GLO1TDP1KDM4EALDH1A1GAA
SCHEMBL31702340 0.73 KMT2A (0.57) GLO1PHLPP2TDP1KDM4EALDH1A1
SCHEMBL2128609 0.72 PARP1 (0.52) MKNK1MKNK2BRD4TDP1SIRT3
SCHEMBL284479 0.72 MKNK1 (0.49) MKNK1MKNK2TDP1SIRT3NNMT
SCHEMBL17857332 0.71 CYP3A4 (0.59) GLO1PHLPP2TDP1KDM4EALDH1A1
SCHEMBL1095966 0.71 ALDH1A1 (0.50) MKNK1MKNK2TDP1SIRT3NNMT

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-2428508-B9 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC (JP) 2016-04-20 — — EP disclosed
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