SCHEMBL11281985

SCHEMBL11281985

c1ccc(NCc2ncccn2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.64
MAOB P27338 4/20 0.64
KCNH3 Q9ULD8 2/20 0.56
TAAR1 Q96RJ0 2/20 0.53
LTA4H P09960 1/20 0.50
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NISCH Q9Y2I1 1/20 0.47
FABP1 P07148 1/20 0.44
FABP6 P51161 1/20 0.44

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
SCHEMBL1923771 0.81 KCNH3 (0.82) KCNH3MAPTKDM4EKMT2A
SCHEMBL28336760 0.79 RAB9A (0.57) MAOAMAOBKCNH3LTA4HALDH1A1
SCHEMBL22191037 0.79 MAOA (0.47) MAOAMAOBKCNH3TAAR1LTA4H
SCHEMBL28219246 0.79 MAOA (0.47) MAOAMAOBKCNH3TAAR1LTA4H
SCHEMBL522503 0.78 MAOA (1.00) MAOAMAOBALDH1A1MAPTKDM4E
SCHEMBL1246556 0.78 L3MBTL1 (0.55) MAOAMAOBKCNH3TAAR1ALDH1A1
SCHEMBL30373802 0.78 MAOA (1.00) MAOAMAOBALDH1A1MAPTKDM4E
SCHEMBL4476356 0.78 MAOA (0.46) MAOAMAOBKCNH3TAAR1ALDH1A1
Hydrochloric Acid SCHEMBL2085180 0.77 MAOA (0.96) MAOAMAOBALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL4509967 0.77 MAOA (0.96) MAOAMAOBALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0024017-A2 N-pyrimidinylmethyl-haloacetanilides, process for their preparation and their use as herbicides; intermediates and their preparation BAYER AG (DE) 1981-02-18 EP claimed
CN-108137518-A As 6 inhibitor of histone deacetylase 1,3,4- oxadiazole derivatives compound and include its pharmaceutical composition 株式会社钟根堂 2018-06-08 CN disclosed
US-4328029-A N-Pyrimidinylmethyl-haloacetanilide compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1982-05-04 US disclosed
EP-0024017-A2 N-pyrimidinylmethyl-haloacetanilides, process for their preparation and their use as herbicides; intermediates and their preparation BAYER AG (DE) 1981-02-18 EP disclosed