Imidazole

Imidazole

SCHEMBL3397303

Clc1ccc2[nH]cnc2c1.c1c[nH]cn1

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
FKBP5 Q13451 1/20 0.42
PARP1 P09874 1/20 0.41
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 1/20 0.37
NR4A2 P43354 2/20 0.37
F7 P08709 1/20 0.37
LTA4H P09960 1/20 0.37
F3 P13726 1/20 0.37
AHR P35869 1/20 0.37
KDM4E B2RXH2 1/20 0.37
APEX1 P27695 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DPP4 P27487 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
CYP26A1 O43174 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36

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
Imidazole SCHEMBL3397308 0.89 PRKCI (0.45) ALDH1A1FKBP5PARP1MAPTKDM4E
SCHEMBL29908920 0.86 ALDH1A1 (0.56) ALDH1A1PARP1MAPTRXFP1NR4A2
SCHEMBL1445052 0.86 ALDH1A1 (0.56) ALDH1A1PARP1MAPTRXFP1NR4A2
SCHEMBL11404855 0.84 ALDH1A1 (0.55) ALDH1A1PARP1MAPTRXFP1NR4A2
SCHEMBL8817622 0.80 PRKCI (0.52) ALDH1A1PARP1MAPTKDM4EAPEX1
Benzimidazole SCHEMBL2148679 0.78 ALDH1A1 (0.46) ALDH1A1FKBP5PARP1MAPTKDM4E
Benzimidazole SCHEMBL28288033 0.78 ALDH1A1 (0.46) ALDH1A1FKBP5PARP1MAPTKDM4E
1,4-Dichlorobenzene SCHEMBL27574751 0.76 ALDH1A1 (0.65) ALDH1A1FKBP5F7F3KDM4E
SCHEMBL13373351 0.73 ALDH1A1 (0.46) ALDH1A1PARP1MAPTKDM4EAPEX1
SCHEMBL30544126 0.71 PRKCI (0.59) ALDH1A1PARP1MAPTKDM4ECYP3A4

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
US-8540802-B2 Adsorptive gas separation of multi-component gases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-09-24 US disclosed
US-20100132549-A1 ADSORPTIVE GAS SEPARATION OF MULTI-COMPONENT GASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-06-03 US disclosed
EP-2155608-A1 ADSORPTIVE GAS SEPARATION OF MULTI-COMPONENT GASES The Regents Of The University Of California (US) 2010-02-24 EP disclosed
WO-2008140788-A1 ADSORPTIVE GAS SEPARATION OF MULTI-COMPONENT GASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-11-20 WO disclosed