SCHEMBL9975185

SCHEMBL9975185

C=C(O/C(C)=N\N)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ATM Q13315 3/20 0.35
▸ ELANE P08246 1/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ NOS3 P29474 2/20 0.33
▸ NOS1 P29475 2/20 0.33
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ CES2 O00748 1/20 0.33
▸ CES1 P23141 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ METTL3 Q86U44 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ XBP1 P17861 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9964954 0.83 SMN1; SMN2 (0.35) LMNAMAPK1HTTATMNPSR1
SCHEMBL9966000 0.81 PARP1 (0.43) HTTL3MBTL1ATMMAPTSMN1; SMN2
SCHEMBL14042054 0.77 KAT6A (0.36) LMNAMAPK1HTTALDH1A1MAPT
SCHEMBL214249 0.76 LMNA (0.42) LMNAL3MBTL1ATMNPSR1MAOA
Methane SCHEMBL756715 0.74 LMNA (0.40) LMNAL3MBTL1ATMNPSR1MAOA
SCHEMBL280538 0.74 ELANE (0.47) LMNAATMELANENPSR1CES2
SCHEMBL12798154 0.73 BLM (0.42) LMNAL3MBTL1MAOAMAOBCES2
SCHEMBL3385461 0.71 ELANE (0.54) LMNAHTTATMELANENPSR1
SCHEMBL8360174 0.71 NOS3 (0.43) LMNAMAPK1HTTL3MBTL1ATM
SCHEMBL12171994 0.70 TSHR (0.45) CES2CES1TSHR

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
WO-2012080236-A1 6-SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-21 — — WO disclosed
Send feedback