Imidazole

Imidazole

SCHEMBL6432298

CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)O.c1c[nH]cn1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.57
KDM4E B2RXH2 4/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CRHR1 P34998 1/20 0.33
PLAU P00749 1/20 0.32
TSPO P30536 2/20 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
Prochloraz SCHEMBL8822683 0.84 AHR (0.83) AHRKDM4ETDP1KMT2AMEN1
SCHEMBL5082576 0.76 AHR (0.57) AHRKDM4ETDP1ALDH1A1KMT2A
Imidazole SCHEMBL10388389 0.76 KMT2A (0.46) KDM4ETDP1ALDH1A1KMT2AHTT
SCHEMBL28427829 0.76 AHR (0.61) AHRKDM4ETDP1ALDH1A1KMT2A
SCHEMBL29450705 0.75 AHR (0.60) AHRKDM4ETDP1ALDH1A1KMT2A
SCHEMBL54526 0.74 AHR (0.54) AHRKDM4ETDP1KMT2AMEN1
SCHEMBL11201887 0.74 AHR (0.59) AHRKDM4ETDP1ALDH1A1KMT2A
SCHEMBL10669728 0.73 AHR (0.59) AHRKDM4ETDP1ALDH1A1KMT2A
Prochloraz SCHEMBL34675 0.72 AHR (1.00) AHRKDM4ETDP1KMT2AMEN1
Prochloraz SCHEMBL22242 0.72 AHR (1.00) AHRKDM4ETDP1KMT2AMEN1

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-1562428-A1 FUNGICIDAL MIXTURES BASED ON A TRIAZOLOPYRIMIDINE DERIVATIVE AND AZOLES BASF AKTIENGESELLSCHAFT (DE) 2005-08-17 EP disclosed
WO-2004064519-A1 FUNGICIDAL MIXTURES BASED ON A TRIAZOLOPYRIMIDINE DERIVATIVE AND AZOLES BASF AKTIENGESELLSCHAFT (DE) 2004-08-05 WO disclosed