Imidazole

Imidazole

SCHEMBL3397308

Clc1ccc2nc[nH]c2c1.c1c[nH]cn1

nearest known ligand 0.45

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.45
ALDH1A1 P00352 2/20 0.44
PARP1 P09874 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
RAD52 P43351 1/20 0.44
CYP3A4 P08684 2/20 0.43
CYP26A1 O43174 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP24A1 Q07973 1/20 0.43
CYP26B1 Q9NR63 1/20 0.43
QPCT Q16769 5/20 0.43
QPCTL Q9NXS2 1/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43

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 SCHEMBL3397303 0.89 ALDH1A1 (0.45) PRKCIALDH1A1PARP1KDM4EMAPT
SCHEMBL1445055 0.85 PRKCI (0.59) PRKCIALDH1A1PARP1KDM4EMAPT
SCHEMBL30544126 0.85 PRKCI (0.59) PRKCIALDH1A1PARP1KDM4EMAPT
SCHEMBL11404862 0.83 PRKCI (0.57) PRKCIALDH1A1PARP1KDM4EMAPT
SCHEMBL8817622 0.82 PRKCI (0.52) PRKCIALDH1A1PARP1KDM4EMAPT
Benzimidazole SCHEMBL2148679 0.77 ALDH1A1 (0.46) PRKCIALDH1A1PARP1KDM4EMAPT
Benzimidazole SCHEMBL28288033 0.77 ALDH1A1 (0.46) PRKCIALDH1A1PARP1KDM4EMAPT
1,4-Dichlorobenzene SCHEMBL27574751 0.75 ALDH1A1 (0.65) ALDH1A1KDM4ECYP19A1LMNAPOLB
Pyrrolidine SCHEMBL4724680 0.74 PRKCI (0.47) PRKCIALDH1A1PARP1KDM4EMAPT
SCHEMBL1445052 0.74 ALDH1A1 (0.56) PRKCIALDH1A1PARP1KDM4EMAPT

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