Imidazole

Imidazole

SCHEMBL3837583

O=C(O)c1cccc(F)n1.c1c[nH]cn1

nearest known ligand 0.47

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ACMSD Q8TDX5 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.39
FKBP5 Q13451 1/20 0.39
LMNA P02545 3/20 0.36
NAPRT Q6XQN6 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GNE Q9Y223 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GRM4 Q14833 3/20 0.34
CTSA P10619 2/20 0.34
MGAM O43451 1/20 0.33
ECE1 P42892 1/20 0.33

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
SCHEMBL29723811 0.82 KDM4E (0.70) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL107964 0.82 KDM4E (0.70) KDM4EALOX15TSHRACMSDTDP1
Hydrochloric Acid SCHEMBL11682457 0.80 KDM4E (0.67) KDM4EALOX15TSHRACMSDTDP1
2-Picolinic Acid SCHEMBL2291560 0.76 LMNA (0.67) KDM4EALOX15TSHRACMSDTDP1
2-Picolinic Acid SCHEMBL27223671 0.76 LMNA (0.67) KDM4EALOX15TSHRACMSDTDP1
Imidazole SCHEMBL15718885 0.75 P2RX7 (0.44) KDM4EALOX15TSHRACMSDTDP1
Isophthalic Acid SCHEMBL15234293 0.72 KMO (0.47) KDM4ETDP1ALDH1A1FKBP5NAPRT
Benzoic Acid SCHEMBL5323571 0.72 NAPRT (0.54) KDM4ETSHRALDH1A1FKBP5NAPRT
Phthalic Acid SCHEMBL2196835 0.72 ALDH1A1 (0.54) KDM4EALOX15TSHRTDP1ALDH1A1
Phthalic Acid SCHEMBL2196833 0.72 ALDH1A1 (0.54) KDM4EALOX15TSHRTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2106396-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS AstraZeneca AB (SE) 2009-10-07 EP disclosed
WO-2008084223-A2 CHEMICAL COMPOUNDS 637: PYRIDOPYRIMIDINEDIONES AS PDE4 INHIBITORS ASTRAZENECA AB (SE) 2008-07-17 WO disclosed